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4-Aminohippuric acid, 99%

CAS: 61-78-9 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00007890 InChI Key: HSMNQINEKMPTIC-UHFFFAOYSA-N Synonym: 4-aminohippuric acid,aminohippuric acid,p-aminohippuric acid,paha,glycine, n-4-aminobenzoyl,n-4-aminobenzoyl glycine,para-aminohippuric acid,aminohippurate,nefrotest,n-p-aminobenzoyl glycine PubChem CID: 2148 ChEBI: CHEBI:104011 IUPAC Name: 2-[(4-aminobenzoyl)amino]acetic acid SMILES: C1=CC(=CC=C1C(=O)NCC(=O)O)N

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Specifications

Benzamides

PubChem CID	2148
CAS	61-78-9
Molecular Weight (g/mol)	194.19
ChEBI	CHEBI:104011
MDL Number	MFCD00007890
SMILES	C1=CC(=CC=C1C(=O)NCC(=O)O)N
Synonym	4-aminohippuric acid,aminohippuric acid,p-aminohippuric acid,paha,glycine, n-4-aminobenzoyl,n-4-aminobenzoyl glycine,para-aminohippuric acid,aminohippurate,nefrotest,n-p-aminobenzoyl glycine
IUPAC Name	2-[(4-aminobenzoyl)amino]acetic acid
InChI Key	HSMNQINEKMPTIC-UHFFFAOYSA-N

2-Amino-6-chlorobenzoic acid, 99%

CAS: 2148-56-3 Molecular Formula: C₇H₆ClNO₂ Molecular Weight (g/mol): 171.58 MDL Number: MFCD00051530 InChI Key: SZCPTRGBOVXVCA-UHFFFAOYSA-N Synonym: 6-chloroanthranilic acid,benzoic acid, 2-amino-6-chloro,2-amino-6-chloro-benzoic acid,6-chloranthranilsaure,pubchem9876,acmc-1cngq,6-chloro anthranilic acid,2-carboxy-3-chloroaniline,2amino-6-chlorobenzoic acid,ksc201s6b PubChem CID: 75071 IUPAC Name: 2-amino-6-chlorobenzoic acid SMILES: C1=CC(=C(C(=C1)Cl)C(=O)O)N

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Specifications

Aminobenzoic acids and derivatives

PubChem CID	75071
CAS	2148-56-3
Molecular Weight (g/mol)	171.58
MDL Number	MFCD00051530
SMILES	C1=CC(=C(C(=C1)Cl)C(=O)O)N
Synonym	6-chloroanthranilic acid,benzoic acid, 2-amino-6-chloro,2-amino-6-chloro-benzoic acid,6-chloranthranilsaure,pubchem9876,acmc-1cngq,6-chloro anthranilic acid,2-carboxy-3-chloroaniline,2amino-6-chlorobenzoic acid,ksc201s6b
IUPAC Name	2-amino-6-chlorobenzoic acid
InChI Key	SZCPTRGBOVXVCA-UHFFFAOYSA-N
Molecular Formula	C₇H₆ClNO₂

2,6-Difluorophenyl isothiocyanate, 97%

CAS: 207974-17-2 Molecular Formula: C7H3F2NS Molecular Weight (g/mol): 171.165 MDL Number: MFCD00041047 InChI Key: DBSXNGIBAKYMSS-UHFFFAOYSA-N PubChem CID: 4031601 IUPAC Name: 1,3-difluoro-2-isothiocyanatobenzene SMILES: C1=CC(=C(C(=C1)F)N=C=S)F

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Specifications

Fluorobenzenes

PubChem CID	4031601
CAS	207974-17-2
Molecular Weight (g/mol)	171.165
MDL Number	MFCD00041047
SMILES	C1=CC(=C(C(=C1)F)N=C=S)F
IUPAC Name	1,3-difluoro-2-isothiocyanatobenzene
InChI Key	DBSXNGIBAKYMSS-UHFFFAOYSA-N
Molecular Formula	C7H3F2NS

2-Amino-5-chlorophenol, 98%

CAS: 28443-50-7 Molecular Formula: C6H6ClNO Molecular Weight (g/mol): 143.57 MDL Number: MFCD02093863 InChI Key: FZCQMIRJCGWWCL-UHFFFAOYSA-N Synonym: 4-chloro-2-hydroxyaniline,phenol, 2-amino-5-chloro,2-amino-5-chloro-phenol,5-chloro-2-aminophenol,pubchem1478,5-chloro-o-aminophenol,5-chloro-2-amino phenol,2-hydroxy-4-chloroaniline,acmc-209h2j,2-azanyl-5-chloranyl-phenol PubChem CID: 91591 ChEBI: CHEBI:75051 IUPAC Name: 2-amino-5-chlorophenol SMILES: NC1=CC=C(Cl)C=C1O

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Specifications

Halophenols

PubChem CID	91591
CAS	28443-50-7
Molecular Weight (g/mol)	143.57
ChEBI	CHEBI:75051
MDL Number	MFCD02093863
SMILES	NC1=CC=C(Cl)C=C1O
Synonym	4-chloro-2-hydroxyaniline,phenol, 2-amino-5-chloro,2-amino-5-chloro-phenol,5-chloro-2-aminophenol,pubchem1478,5-chloro-o-aminophenol,5-chloro-2-amino phenol,2-hydroxy-4-chloroaniline,acmc-209h2j,2-azanyl-5-chloranyl-phenol
IUPAC Name	2-amino-5-chlorophenol
InChI Key	FZCQMIRJCGWWCL-UHFFFAOYSA-N
Molecular Formula	C6H6ClNO

5-Hydroxyisoquinoline, 90%, technical

CAS: 2439-04-5 Molecular Formula: C₉H₇NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00006906 InChI Key: CSNXUYRHPXGSJD-UHFFFAOYSA-N Synonym: 5-hydroxyisoquinoline,5-isoquinolinol,5-hydroxy-isoquinoline,chembl57481,5-hydroxyisoquinolne,pubchem12826,acmc-2097ay,5-hydroxy-2-azanaphthalene PubChem CID: 30386 IUPAC Name: isoquinolin-5-ol SMILES: C1=CC2=C(C=CN=C2)C(=C1)O

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Specifications

1-hydroxy-4-unsubstituted benzenoids

PubChem CID	30386
CAS	2439-04-5
Molecular Weight (g/mol)	145.16
MDL Number	MFCD00006906
SMILES	C1=CC2=C(C=CN=C2)C(=C1)O
Synonym	5-hydroxyisoquinoline,5-isoquinolinol,5-hydroxy-isoquinoline,chembl57481,5-hydroxyisoquinolne,pubchem12826,acmc-2097ay,5-hydroxy-2-azanaphthalene
IUPAC Name	isoquinolin-5-ol
InChI Key	CSNXUYRHPXGSJD-UHFFFAOYSA-N
Molecular Formula	C₉H₇NO

4-Fluorophenylurea, 96%

CAS: 659-30-3 Molecular Formula: C7H7FN2O Molecular Weight (g/mol): 154.14 MDL Number: MFCD00014787 InChI Key: IQZBVVPYTDHTIP-UHFFFAOYSA-N Synonym: 4-fluorophenyl urea,1-4-fluorophenyl urea,urea, 1-p-fluorophenyl,1-p-fluorophenyl urea,n-4-fluorophenyl urea,p-fluorophenylurea,amino-n-4-fluorophenyl amide,n'-4-fluorophenyl urea PubChem CID: 12612 IUPAC Name: (4-fluorophenyl)urea SMILES: NC(=O)NC1=CC=C(F)C=C1

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Specifications

N-phenylureas

PubChem CID	12612
CAS	659-30-3
Molecular Weight (g/mol)	154.14
MDL Number	MFCD00014787
SMILES	NC(=O)NC1=CC=C(F)C=C1
Synonym	4-fluorophenyl urea,1-4-fluorophenyl urea,urea, 1-p-fluorophenyl,1-p-fluorophenyl urea,n-4-fluorophenyl urea,p-fluorophenylurea,amino-n-4-fluorophenyl amide,n'-4-fluorophenyl urea
IUPAC Name	(4-fluorophenyl)urea
InChI Key	IQZBVVPYTDHTIP-UHFFFAOYSA-N
Molecular Formula	C7H7FN2O

Ethyl 2-bromobenzoate, 98+%

CAS: 6091-64-1 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00015443 InChI Key: BIHHBTVQFPVSTE-UHFFFAOYSA-N Synonym: 2-bromobenzoic acid ethyl ester,benzoic acid, 2-bromo-, ethyl ester,ethyl-2-bromobenzoate,ethyl2-bromobenzoate,ethyl bromobenzoate,ethyl o-bromobenzoate,pubchem3937,brombenzoesaureathylester,acmc-209mn8,ksc493o4r PubChem CID: 80186 IUPAC Name: ethyl 2-bromobenzoate SMILES: CCOC(=O)C1=CC=CC=C1Br

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Specifications

Hydroxybenzoic Acid Derivatives

PubChem CID	80186
CAS	6091-64-1
Molecular Weight (g/mol)	229.073
MDL Number	MFCD00015443
SMILES	CCOC(=O)C1=CC=CC=C1Br
Synonym	2-bromobenzoic acid ethyl ester,benzoic acid, 2-bromo-, ethyl ester,ethyl-2-bromobenzoate,ethyl2-bromobenzoate,ethyl bromobenzoate,ethyl o-bromobenzoate,pubchem3937,brombenzoesaureathylester,acmc-209mn8,ksc493o4r
IUPAC Name	ethyl 2-bromobenzoate
InChI Key	BIHHBTVQFPVSTE-UHFFFAOYSA-N
Molecular Formula	C9H9BrO2

tert-Butyl phenyl carbonate, 98%

CAS: 6627-89-0 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00008804 InChI Key: UXWVQHXKKOGTSY-UHFFFAOYSA-N Synonym: t-butyl phenyl carbonate,tert-butylphenylcarbonate,2-methyl-2-propanyl phenyl carbonate,carbonic acid, 1,1-dimethylethyl phenyl ester,pubchem13300,acmc-209nuo,phenyl t-butyl carbonate,uxwvqhxkkogtsy-uhfffaoysa,tert-butyl phenyl carbonate,carbonic acid tert-butylphenyl ester PubChem CID: 81113 IUPAC Name: tert-butyl phenyl carbonate SMILES: CC(C)(C)OC(=O)OC1=CC=CC=C1

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Specifications

Phenoxy compounds

PubChem CID	81113
CAS	6627-89-0
Molecular Weight (g/mol)	194.23
MDL Number	MFCD00008804
SMILES	CC(C)(C)OC(=O)OC1=CC=CC=C1
Synonym	t-butyl phenyl carbonate,tert-butylphenylcarbonate,2-methyl-2-propanyl phenyl carbonate,carbonic acid, 1,1-dimethylethyl phenyl ester,pubchem13300,acmc-209nuo,phenyl t-butyl carbonate,uxwvqhxkkogtsy-uhfffaoysa,tert-butyl phenyl carbonate,carbonic acid tert-butylphenyl ester
IUPAC Name	tert-butyl phenyl carbonate
InChI Key	UXWVQHXKKOGTSY-UHFFFAOYSA-N
Molecular Formula	C11H14O3

Mesitylacetonitrile, 98%

CAS: 34688-71-6 Molecular Formula: C11H13N Molecular Weight (g/mol): 159.232 MDL Number: MFCD00013815 InChI Key: SDKQOGSGNPGPRN-UHFFFAOYSA-N Synonym: mesitylacetonitrile,2,4,6-trimethylphenylacetonitrile,2-mesitylacetonitrile,2-2,4,6-trimethylphenyl acetonitrile,2,4,6-trimethylbenzyl cyanide,benzeneacetonitrile, 2,4,6-trimethyl,2,4,6-trimethylphenyl acetonitrile,2-2,4,6-trimethylphenyl ethanenitrile,mesitylacetonitrile # PubChem CID: 520698 IUPAC Name: 2-(2,4,6-trimethylphenyl)acetonitrile SMILES: CC1=CC(=C(C(=C1)C)CC#N)C

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Specifications

Benzyl Derivatives

PubChem CID	520698
CAS	34688-71-6
Molecular Weight (g/mol)	159.232
MDL Number	MFCD00013815
SMILES	CC1=CC(=C(C(=C1)C)CC#N)C
Synonym	mesitylacetonitrile,2,4,6-trimethylphenylacetonitrile,2-mesitylacetonitrile,2-2,4,6-trimethylphenyl acetonitrile,2,4,6-trimethylbenzyl cyanide,benzeneacetonitrile, 2,4,6-trimethyl,2,4,6-trimethylphenyl acetonitrile,2-2,4,6-trimethylphenyl ethanenitrile,mesitylacetonitrile #
IUPAC Name	2-(2,4,6-trimethylphenyl)acetonitrile
InChI Key	SDKQOGSGNPGPRN-UHFFFAOYSA-N
Molecular Formula	C11H13N

2-Fluoro-6-nitrobenzyl bromide, 98+%

CAS: 1958-93-6 Molecular Formula: C7H5BrFNO2 Molecular Weight (g/mol): 234.02 MDL Number: MFCD00042918 InChI Key: KKSODTKRSQTJFZ-UHFFFAOYSA-N PubChem CID: 74779 IUPAC Name: 2-(bromomethyl)-1-fluoro-3-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC(F)=C1CBr

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Specifications

Benzyl Derivatives

PubChem CID	74779
CAS	1958-93-6
Molecular Weight (g/mol)	234.02
MDL Number	MFCD00042918
SMILES	[O-][N+](=O)C1=CC=CC(F)=C1CBr
IUPAC Name	2-(bromomethyl)-1-fluoro-3-nitrobenzene
InChI Key	KKSODTKRSQTJFZ-UHFFFAOYSA-N
Molecular Formula	C7H5BrFNO2

3-Acetylphenanthrene, 97%

CAS: 2039-76-1 Molecular Formula: C₁₆H₁₂O Molecular Weight (g/mol): 220.27 InChI Key: JKVNPRNAHRHQDD-UHFFFAOYSA-N Synonym: 3-acetylphenanthrene,1-phenanthren-3-yl ethanone,ethanone, 1-3-phenanthrenyl,1-3-phenanthryl ethanone,methyl 3-phenanthryl ketone,ketone, methyl 3-phenanthryl,1-phenanthren-3-yl ethan-1-one,acmc-1clh9,dsstox_cid_29099,dsstox_rid_83318 PubChem CID: 74867 IUPAC Name: 1-phenanthren-3-ylethanone SMILES: CC(=O)C1=CC2=C(C=CC3=CC=CC=C32)C=C1

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Specifications

Acetophenones

PubChem CID	74867
CAS	2039-76-1
Molecular Weight (g/mol)	220.27
SMILES	CC(=O)C1=CC2=C(C=CC3=CC=CC=C32)C=C1
Synonym	3-acetylphenanthrene,1-phenanthren-3-yl ethanone,ethanone, 1-3-phenanthrenyl,1-3-phenanthryl ethanone,methyl 3-phenanthryl ketone,ketone, methyl 3-phenanthryl,1-phenanthren-3-yl ethan-1-one,acmc-1clh9,dsstox_cid_29099,dsstox_rid_83318
IUPAC Name	1-phenanthren-3-ylethanone
InChI Key	JKVNPRNAHRHQDD-UHFFFAOYSA-N
Molecular Formula	C₁₆H₁₂O

2,6-Dichlorobenzoic Acid, 98+%

CAS: 50-30-6 Molecular Formula: C7H4Cl2O2 Molecular Weight (g/mol): 191.01 MDL Number: MFCD00002418 InChI Key: MRUDNSFOFOQZDA-UHFFFAOYSA-N Synonym: benzoic acid, 2,6-dichloro,2,6-dichloro-benzoic acid,unii-634ri764qt,2,6 dichlorobenzoic acid,2,6-dichlorobenzoicacid,2,6-dichloro-benzoicacid,ccris 8610,pubchem20028,acmc-1auop,2.6-dichlorobenzoic acid PubChem CID: 5758 ChEBI: CHEBI:48623 IUPAC Name: 2,6-dichlorobenzoic acid SMILES: OC(=O)C1=C(Cl)C=CC=C1Cl

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Specifications

Benzoic acids

PubChem CID	5758
CAS	50-30-6
Molecular Weight (g/mol)	191.01
ChEBI	CHEBI:48623
MDL Number	MFCD00002418
SMILES	OC(=O)C1=C(Cl)C=CC=C1Cl
Synonym	benzoic acid, 2,6-dichloro,2,6-dichloro-benzoic acid,unii-634ri764qt,2,6 dichlorobenzoic acid,2,6-dichlorobenzoicacid,2,6-dichloro-benzoicacid,ccris 8610,pubchem20028,acmc-1auop,2.6-dichlorobenzoic acid
IUPAC Name	2,6-dichlorobenzoic acid
InChI Key	MRUDNSFOFOQZDA-UHFFFAOYSA-N
Molecular Formula	C7H4Cl2O2

3-Chlorophenylhydrazine hydrochloride, 97%

CAS: 2312-23-4 Molecular Formula: C₆H₇ClN₂·HCl Molecular Weight (g/mol): 179.05 MDL Number: MFCD00012935 InChI Key: CRRIAWUJYMLJOE-UHFFFAOYSA-N Synonym: 3-chlorophenylhydrazine hydrochloride,3-chlorophenyl hydrazine hydrochloride,3-chloro phenyl hydrazine hydrochloride,m-chlorophenylhydrazine hydrochloride,hydrazine, 3-chlorophenyl-, monohydrochloride,1-3-chlorophenyl hydrazine hydrochloride,m-chlorophenylhydrazine hcl,3-chlorophenyl hydrazine hydrochloride 1:1,3-chlorophenyl hydrazinehydrochloride PubChem CID: 75331 IUPAC Name: (3-chlorophenyl)hydrazine;hydrochloride SMILES: C1=CC(=CC(=C1)Cl)NN.Cl

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Specifications

Phenylhydrazines

PubChem CID	75331
CAS	2312-23-4
Molecular Weight (g/mol)	179.05
MDL Number	MFCD00012935
SMILES	C1=CC(=CC(=C1)Cl)NN.Cl
Synonym	3-chlorophenylhydrazine hydrochloride,3-chlorophenyl hydrazine hydrochloride,3-chloro phenyl hydrazine hydrochloride,m-chlorophenylhydrazine hydrochloride,hydrazine, 3-chlorophenyl-, monohydrochloride,1-3-chlorophenyl hydrazine hydrochloride,m-chlorophenylhydrazine hcl,3-chlorophenyl hydrazine hydrochloride 1:1,3-chlorophenyl hydrazinehydrochloride
IUPAC Name	(3-chlorophenyl)hydrazine;hydrochloride
InChI Key	CRRIAWUJYMLJOE-UHFFFAOYSA-N
Molecular Formula	C₆H₇ClN₂·HCl

4-Amino-3-fluorobenzonitrile, 99%

CAS: 63069-50-1 Molecular Formula: C7H5FN2 Molecular Weight (g/mol): 136.129 MDL Number: MFCD00055559 InChI Key: RLMBRRQWBTWGMB-UHFFFAOYSA-N Synonym: 3-fluoro-4-aminobenzonitrile,4-cyano-2-fluoroaniline,benzonitrile, 4-amino-3-fluoro,4-amino-3-fluorobenzenecarbonitrile,4-amino-3-fluoro-benzonitrile,pubchem4638,4-cyano-2-fluoro-aniline,acmc-1bc36,ksc494c4h,3-fluoro-4-aminobenzonitrile;4-amino-3-fluorobenzonitrile PubChem CID: 2756431 IUPAC Name: 4-amino-3-fluorobenzonitrile SMILES: C1=CC(=C(C=C1C#N)F)N

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Specifications

Fluorobenzenes

PubChem CID	2756431
CAS	63069-50-1
Molecular Weight (g/mol)	136.129
MDL Number	MFCD00055559
SMILES	C1=CC(=C(C=C1C#N)F)N
Synonym	3-fluoro-4-aminobenzonitrile,4-cyano-2-fluoroaniline,benzonitrile, 4-amino-3-fluoro,4-amino-3-fluorobenzenecarbonitrile,4-amino-3-fluoro-benzonitrile,pubchem4638,4-cyano-2-fluoro-aniline,acmc-1bc36,ksc494c4h,3-fluoro-4-aminobenzonitrile;4-amino-3-fluorobenzonitrile
IUPAC Name	4-amino-3-fluorobenzonitrile
InChI Key	RLMBRRQWBTWGMB-UHFFFAOYSA-N
Molecular Formula	C7H5FN2

Bis(3,5-di-tert-butyl-4-methoxyphenyl)chlorophosphine, 94%

CAS: 212713-08-1 Molecular Formula: C30H46ClO2P Molecular Weight (g/mol): 505.12 MDL Number: MFCD08458881 InChI Key: VOGHMZHRQUWLRE-UHFFFAOYSA-N Synonym: bis 3,5-di-tert-butyl-4-methoxyphenyl chlorophosphine,acmc-20alnq,chlorobis 3,5-di-tert-butyl-4-methoxyphenyl phosphane,chlorobis 3,5-di-tert-butyl-4-methoxyphenyl phosphine,bis 3,5-di-tert-butyl-4-methoxyphenyl phosphinous chloride,bis 3,5-bis 1,1-dimethylethyl-4-methoxyphenyl phosphinous chloride,phosphinous chloride,bis 3,5-bis 1,1-dimethylethyl-4-methoxyphenyl-9ci PubChem CID: 53431072 IUPAC Name: chloro-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane SMILES: CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)P(C2=CC(=C(C(=C2)C(C)(C)C)OC)C(C)(C)C)Cl

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Specifications

Phenylpropanes

PubChem CID	53431072
CAS	212713-08-1
Molecular Weight (g/mol)	505.12
MDL Number	MFCD08458881
SMILES	CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)P(C2=CC(=C(C(=C2)C(C)(C)C)OC)C(C)(C)C)Cl
Synonym	bis 3,5-di-tert-butyl-4-methoxyphenyl chlorophosphine,acmc-20alnq,chlorobis 3,5-di-tert-butyl-4-methoxyphenyl phosphane,chlorobis 3,5-di-tert-butyl-4-methoxyphenyl phosphine,bis 3,5-di-tert-butyl-4-methoxyphenyl phosphinous chloride,bis 3,5-bis 1,1-dimethylethyl-4-methoxyphenyl phosphinous chloride,phosphinous chloride,bis 3,5-bis 1,1-dimethylethyl-4-methoxyphenyl-9ci
IUPAC Name	chloro-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane
InChI Key	VOGHMZHRQUWLRE-UHFFFAOYSA-N
Molecular Formula	C30H46ClO2P

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