Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.

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3,181 – 3,195 of 64,662 results

3,181

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2-Nitrobenzoic acid, 95%

CAS: 552-16-9 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007137 InChI Key: SLAMLWHELXOEJZ-UHFFFAOYSA-N Synonym: 2-nitrobenzoic acid,o-nitrobenzoic acid,benzoic acid, 2-nitro,2-nitrobenzoicacid,o-carboxynitrobenzene,benzoic acid, o-nitro,nitrobenzoic acid,2-nitro-benzoic acid,ccris 2334,2-nitro benzoic acid PubChem CID: 11087 ChEBI: CHEBI:25620 SMILES: C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]

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Specifications

PubChem CID	11087
CAS	552-16-9
Molecular Weight (g/mol)	167.12
ChEBI	CHEBI:25620
MDL Number	MFCD00007137
SMILES	C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]
Synonym	2-nitrobenzoic acid,o-nitrobenzoic acid,benzoic acid, 2-nitro,2-nitrobenzoicacid,o-carboxynitrobenzene,benzoic acid, o-nitro,nitrobenzoic acid,2-nitro-benzoic acid,ccris 2334,2-nitro benzoic acid
InChI Key	SLAMLWHELXOEJZ-UHFFFAOYSA-N
Molecular Formula	C7H5NO4

3,182

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o-Anisidine, 99%

CAS: 90-04-0 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.155 MDL Number: MFCD00007688 InChI Key: VMPITZXILSNTON-UHFFFAOYSA-N Synonym: o-anisidine,2-anisidine,ortho-anisidine,2-aminoanisole,o-methoxyaniline,o-aminoanisole,benzenamine, 2-methoxy,2-methoxybenzenamine,o-methoxyphenylamine,o-anisylamine PubChem CID: 7000 ChEBI: CHEBI:82288 IUPAC Name: 2-methoxyaniline SMILES: COC1=CC=CC=C1N

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Specifications

PubChem CID	7000
CAS	90-04-0
Molecular Weight (g/mol)	123.155
ChEBI	CHEBI:82288
MDL Number	MFCD00007688
SMILES	COC1=CC=CC=C1N
Synonym	o-anisidine,2-anisidine,ortho-anisidine,2-aminoanisole,o-methoxyaniline,o-aminoanisole,benzenamine, 2-methoxy,2-methoxybenzenamine,o-methoxyphenylamine,o-anisylamine
IUPAC Name	2-methoxyaniline
InChI Key	VMPITZXILSNTON-UHFFFAOYSA-N
Molecular Formula	C7H9NO

3,183

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Cumene, 99%

CAS: 98-82-8 Molecular Formula: C9H12 Molecular Weight (g/mol): 120.195 MDL Number: MFCD00008881 InChI Key: RWGFKTVRMDUZSP-UHFFFAOYSA-N Synonym: isopropylbenzene,2-phenylpropane,cumol,benzene, 1-methylethyl,1-methylethyl benzene,isopropylbenzol,cumeen,isopropilbenzene,isopropylbenzeen,2-fenilpropano PubChem CID: 7406 ChEBI: CHEBI:34656 IUPAC Name: cumene SMILES: CC(C)C1=CC=CC=C1

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Specifications

PubChem CID	7406
CAS	98-82-8
Molecular Weight (g/mol)	120.195
ChEBI	CHEBI:34656
MDL Number	MFCD00008881
SMILES	CC(C)C1=CC=CC=C1
Synonym	isopropylbenzene,2-phenylpropane,cumol,benzene, 1-methylethyl,1-methylethyl benzene,isopropylbenzol,cumeen,isopropilbenzene,isopropylbenzeen,2-fenilpropano
IUPAC Name	cumene
InChI Key	RWGFKTVRMDUZSP-UHFFFAOYSA-N
Molecular Formula	C9H12

3,184

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1-Bromo-4-n-heptylbenzene, 97%, Thermo Scientific Chemicals

CAS: 76287-49-5 Molecular Formula: C13H19Br Molecular Weight (g/mol): 255.199 MDL Number: MFCD00061115 InChI Key: YHKMTIJHJWYYAG-UHFFFAOYSA-N Synonym: 1-bromo-4-n-heptylbenzene,1-4-bromophenyl heptane,4-heptylbromobenzene,benzene, 1-bromo-4-heptyl,4-bromo-1-heptylbenzene,1-bromo-4-heptyl-benzene,acmc-209p2u,1-bromanyl-4-heptyl-benzene,ksc912e9b PubChem CID: 2775100 IUPAC Name: 1-bromo-4-heptylbenzene SMILES: CCCCCCCC1=CC=C(C=C1)Br

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Specifications

PubChem CID	2775100
CAS	76287-49-5
Molecular Weight (g/mol)	255.199
MDL Number	MFCD00061115
SMILES	CCCCCCCC1=CC=C(C=C1)Br
Synonym	1-bromo-4-n-heptylbenzene,1-4-bromophenyl heptane,4-heptylbromobenzene,benzene, 1-bromo-4-heptyl,4-bromo-1-heptylbenzene,1-bromo-4-heptyl-benzene,acmc-209p2u,1-bromanyl-4-heptyl-benzene,ksc912e9b
IUPAC Name	1-bromo-4-heptylbenzene
InChI Key	YHKMTIJHJWYYAG-UHFFFAOYSA-N
Molecular Formula	C13H19Br

3,185

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4-Hydroxy-2-(trifluoromethyl)benzonitrile, 98%

CAS: 320-42-3 Molecular Formula: C8H4F3NO Molecular Weight (g/mol): 187.121 MDL Number: MFCD06797340 InChI Key: MDBVIOUGHSKRMT-UHFFFAOYSA-N Synonym: 4-hydroxy-2-trifluoromethyl benzonitrile,4-hydroxy-2-trifluoroemthyl benzonitrile,pubchem4807,2-cyano-5-hydroxybenzotrifluoride,4-cyano-3-trifluoromethyl phenol,4-hydroxy-2-trifluoromethyl-benzonitrile,benzonitrile, 4-hydroxy-2-trifluoromethyl,4-hydroxy-2-trifluoromethyl benzenecarbonitrile PubChem CID: 2783153 IUPAC Name: 4-hydroxy-2-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1O)C(F)(F)F)C#N

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Specifications

PubChem CID	2783153
CAS	320-42-3
Molecular Weight (g/mol)	187.121
MDL Number	MFCD06797340
SMILES	C1=CC(=C(C=C1O)C(F)(F)F)C#N
Synonym	4-hydroxy-2-trifluoromethyl benzonitrile,4-hydroxy-2-trifluoroemthyl benzonitrile,pubchem4807,2-cyano-5-hydroxybenzotrifluoride,4-cyano-3-trifluoromethyl phenol,4-hydroxy-2-trifluoromethyl-benzonitrile,benzonitrile, 4-hydroxy-2-trifluoromethyl,4-hydroxy-2-trifluoromethyl benzenecarbonitrile
IUPAC Name	4-hydroxy-2-(trifluoromethyl)benzonitrile
InChI Key	MDBVIOUGHSKRMT-UHFFFAOYSA-N
Molecular Formula	C8H4F3NO

3,186

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3,5-Bis(trifluoromethyl)thiophenol, 98%

CAS: 130783-02-7 Molecular Formula: C8H4F6S Molecular Weight (g/mol): 246.17 MDL Number: MFCD00042273 InChI Key: KCAQWPZIMLLEAF-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzenethiol,3,5-bis trifluoromethyl thiophenol,3,5-bis trifluoromethyl benzene-1-thiol,pubchem15275,acmc-209bji,3,5-bis trifluoromethyl-benzenethiol,3,5-bis trifluoromethyl benzenethiol # PubChem CID: 518690 IUPAC Name: 3,5-bis(trifluoromethyl)benzenethiol SMILES: C1=C(C=C(C=C1C(F)(F)F)S)C(F)(F)F

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PubChem CID	518690
CAS	130783-02-7
Molecular Weight (g/mol)	246.17
MDL Number	MFCD00042273
SMILES	C1=C(C=C(C=C1C(F)(F)F)S)C(F)(F)F
Synonym	3,5-bis trifluoromethyl benzenethiol,3,5-bis trifluoromethyl thiophenol,3,5-bis trifluoromethyl benzene-1-thiol,pubchem15275,acmc-209bji,3,5-bis trifluoromethyl-benzenethiol,3,5-bis trifluoromethyl benzenethiol #
IUPAC Name	3,5-bis(trifluoromethyl)benzenethiol
InChI Key	KCAQWPZIMLLEAF-UHFFFAOYSA-N
Molecular Formula	C8H4F6S

3,187

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3,5-Bis(trifluoromethyl)aniline, 98%

CAS: 328-74-5 Molecular Formula: C8H5F6N Molecular Weight (g/mol): 229.125 MDL Number: MFCD00000394 InChI Key: CDIDGWDGQGVCIB-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl aniline,3,5-di trifluoromethyl aniline,benzenamine, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl benzenamine,3',5'-bis-trifluoromethyl aniline,3,5-bis-trifluoromethylaniline,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylidine,3,5-bis-trifluoromethyl-phenylamine,aniline, 3,5-bis trifluoromethyl PubChem CID: 9480 IUPAC Name: 3,5-bis(trifluoromethyl)aniline SMILES: C1=C(C=C(C=C1C(F)(F)F)N)C(F)(F)F

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Specifications

PubChem CID	9480
CAS	328-74-5
Molecular Weight (g/mol)	229.125
MDL Number	MFCD00000394
SMILES	C1=C(C=C(C=C1C(F)(F)F)N)C(F)(F)F
Synonym	3,5-bis trifluoromethyl aniline,3,5-di trifluoromethyl aniline,benzenamine, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl benzenamine,3',5'-bis-trifluoromethyl aniline,3,5-bis-trifluoromethylaniline,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylidine,3,5-bis-trifluoromethyl-phenylamine,aniline, 3,5-bis trifluoromethyl
IUPAC Name	3,5-bis(trifluoromethyl)aniline
InChI Key	CDIDGWDGQGVCIB-UHFFFAOYSA-N
Molecular Formula	C8H5F6N

3,188

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2-Amino-5-chlorobenzophenone, 98+%

CAS: 719-59-5 Molecular Formula: C13H10ClNO Molecular Weight (g/mol): 231.68 MDL Number: MFCD00007839 InChI Key: ZUWXHHBROGLWNH-UHFFFAOYSA-N Synonym: 2-amino-5-chlorobenzophenone,2-amino-5-chlorophenyl phenyl methanone,2-benzoyl-4-chloroaniline,methanone, 2-amino-5-chlorophenyl phenyl,2-amino-5-chlorbenzophenone,5-chloro-2-aminobenzophenone,2-amino-5-chlorobenzylphenone,benzophenone, 2-amino-5-chloro,unii-fr80014zbt,2-amino-5-chlorophenyl phenylmethanone PubChem CID: 12870 IUPAC Name: (2-amino-5-chlorophenyl)-phenylmethanone SMILES: NC1=CC=C(Cl)C=C1C(=O)C1=CC=CC=C1

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Specifications

PubChem CID	12870
CAS	719-59-5
Molecular Weight (g/mol)	231.68
MDL Number	MFCD00007839
SMILES	NC1=CC=C(Cl)C=C1C(=O)C1=CC=CC=C1
Synonym	2-amino-5-chlorobenzophenone,2-amino-5-chlorophenyl phenyl methanone,2-benzoyl-4-chloroaniline,methanone, 2-amino-5-chlorophenyl phenyl,2-amino-5-chlorbenzophenone,5-chloro-2-aminobenzophenone,2-amino-5-chlorobenzylphenone,benzophenone, 2-amino-5-chloro,unii-fr80014zbt,2-amino-5-chlorophenyl phenylmethanone
IUPAC Name	(2-amino-5-chlorophenyl)-phenylmethanone
InChI Key	ZUWXHHBROGLWNH-UHFFFAOYSA-N
Molecular Formula	C13H10ClNO

3,189

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4,4'-Diaminodiphenylmethane, 97%, Thermo Scientific Chemicals

CAS: 101-77-9 Molecular Formula: C13H14N2 Molecular Weight (g/mol): 198.27 MDL Number: MFCD00007914 InChI Key: YBRVSVVVWCFQMG-UHFFFAOYSA-N Synonym: 4,4'-methylenedianiline,4,4'-diaminodiphenylmethane,dadpm,methylenedianiline,dianilinomethane,tonox,p,p'-methylenedianiline,dianilinemethane,bis 4-aminophenyl methane,4-4-aminobenzyl aniline PubChem CID: 7577 ChEBI: CHEBI:32506 IUPAC Name: 4-[(4-aminophenyl)methyl]aniline SMILES: NC1=CC=C(CC2=CC=C(N)C=C2)C=C1

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PubChem CID	7577
CAS	101-77-9
Molecular Weight (g/mol)	198.27
ChEBI	CHEBI:32506
MDL Number	MFCD00007914
SMILES	NC1=CC=C(CC2=CC=C(N)C=C2)C=C1
Synonym	4,4'-methylenedianiline,4,4'-diaminodiphenylmethane,dadpm,methylenedianiline,dianilinomethane,tonox,p,p'-methylenedianiline,dianilinemethane,bis 4-aminophenyl methane,4-4-aminobenzyl aniline
IUPAC Name	4-[(4-aminophenyl)methyl]aniline
InChI Key	YBRVSVVVWCFQMG-UHFFFAOYSA-N
Molecular Formula	C13H14N2

3,190

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1-(4-Methylphenyl)piperazine, 98%

CAS: 39593-08-3 Molecular Formula: C₁₁H₁₆N₂ Molecular Weight (g/mol): 176.26 MDL Number: MFCD00040737 InChI Key: ONEYFZXGNFNRJH-UHFFFAOYSA-N Synonym: 1-4-methylphenyl piperazine,1-p-tolyl piperazine,1-p-tolyl-piperazine,1-4-methylphenyl-piperazine,1-4-methyl phenyl piperazine,1-p-tolylpiperazine,acmc-1adtx,4-methylphenyl piperazine,4-4-methylphenyl piperazine,1-4-methyl-phenyl-piperazine PubChem CID: 83113 IUPAC Name: 1-(4-methylphenyl)piperazine SMILES: CC1=CC=C(C=C1)N2CCNCC2

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Specifications

PubChem CID	83113
CAS	39593-08-3
Molecular Weight (g/mol)	176.26
MDL Number	MFCD00040737
SMILES	CC1=CC=C(C=C1)N2CCNCC2
Synonym	1-4-methylphenyl piperazine,1-p-tolyl piperazine,1-p-tolyl-piperazine,1-4-methylphenyl-piperazine,1-4-methyl phenyl piperazine,1-p-tolylpiperazine,acmc-1adtx,4-methylphenyl piperazine,4-4-methylphenyl piperazine,1-4-methyl-phenyl-piperazine
IUPAC Name	1-(4-methylphenyl)piperazine
InChI Key	ONEYFZXGNFNRJH-UHFFFAOYSA-N
Molecular Formula	C₁₁H₁₆N₂

3,191

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Bis(2-ethylhexyl) phthalate, 98+%, Thermo Scientific Chemicals

CAS: 117-81-7 Molecular Formula: C24H38O4 Molecular Weight (g/mol): 390.564 MDL Number: MFCD00009493 InChI Key: BJQHLKABXJIVAM-UHFFFAOYSA-N Synonym: dehp,bis 2-ethylhexyl phthalate,di 2-ethylhexyl phthalate,diethylhexyl phthalate,di-sec-octyl phthalate,octyl phthalate,fleximel,octoil PubChem CID: 8343 ChEBI: CHEBI:17747 IUPAC Name: bis(2-ethylhexyl) benzene-1,2-dicarboxylate SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC

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Specifications

PubChem CID	8343
CAS	117-81-7
Molecular Weight (g/mol)	390.564
ChEBI	CHEBI:17747
MDL Number	MFCD00009493
SMILES	CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC
Synonym	dehp,bis 2-ethylhexyl phthalate,di 2-ethylhexyl phthalate,diethylhexyl phthalate,di-sec-octyl phthalate,octyl phthalate,fleximel,octoil
IUPAC Name	bis(2-ethylhexyl) benzene-1,2-dicarboxylate
InChI Key	BJQHLKABXJIVAM-UHFFFAOYSA-N
Molecular Formula	C24H38O4

3,192

Ethyl 3-(1,3-thiazol-2-yl)benzoate, 97%, Thermo Scientific™

CAS: 886851-29-2 Molecular Formula: C12H11NO2S Molecular Weight (g/mol): 233.285 MDL Number: MFCD09064945 InChI Key: LHYDRQQHIJUWDE-UHFFFAOYSA-N Synonym: ethyl 3-1,3-thiazol-2-yl benzoate,benzoic acid,3-2-thiazolyl-, ethyl ester,ethyl 3-thiazol-2-yl benzoate,benzoic acid,3-2-thiazolyl-,ethyl ester PubChem CID: 24229479 IUPAC Name: ethyl 3-(1,3-thiazol-2-yl)benzoate SMILES: CCOC(=O)C1=CC=CC(=C1)C2=NC=CS2

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Specifications

PubChem CID	24229479
CAS	886851-29-2
Molecular Weight (g/mol)	233.285
MDL Number	MFCD09064945
SMILES	CCOC(=O)C1=CC=CC(=C1)C2=NC=CS2
Synonym	ethyl 3-1,3-thiazol-2-yl benzoate,benzoic acid,3-2-thiazolyl-, ethyl ester,ethyl 3-thiazol-2-yl benzoate,benzoic acid,3-2-thiazolyl-,ethyl ester
IUPAC Name	ethyl 3-(1,3-thiazol-2-yl)benzoate
InChI Key	LHYDRQQHIJUWDE-UHFFFAOYSA-N
Molecular Formula	C12H11NO2S

3,193

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Propylene Phenoxytol, Reagent, Spectrum™ Chemical

CAS: 770-35-4 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00016861 InChI Key: IBLKWZIFZMJLFL-UHFFFAOYNA-N IUPAC Name: 1-phenoxypropan-2-ol SMILES: CC(O)COC1=CC=CC=C1

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Specifications

CAS	770-35-4
Molecular Weight (g/mol)	152.19
MDL Number	MFCD00016861
SMILES	CC(O)COC1=CC=CC=C1
IUPAC Name	1-phenoxypropan-2-ol
InChI Key	IBLKWZIFZMJLFL-UHFFFAOYNA-N
Molecular Formula	C9H12O2

3,194

Loperamide hydrochloride, 98+%

CAS: 34552-83-5 Molecular Formula: C29H34Cl2N2O2 Molecular Weight (g/mol): 513.503 MDL Number: MFCD00058581 InChI Key: PGYPOBZJRVSMDS-UHFFFAOYSA-N Synonym: loperamide hydrochloride,loperamide hcl,imodium,suprasec,dissenten,fortasec,lopemid,lopemin,loperyl,imosec PubChem CID: 71420 ChEBI: CHEBI:6533 IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;hydrochloride SMILES: CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4.Cl

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Specifications

PubChem CID	71420
CAS	34552-83-5
Molecular Weight (g/mol)	513.503
ChEBI	CHEBI:6533
MDL Number	MFCD00058581
SMILES	CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4.Cl
Synonym	loperamide hydrochloride,loperamide hcl,imodium,suprasec,dissenten,fortasec,lopemid,lopemin,loperyl,imosec
IUPAC Name	4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;hydrochloride
InChI Key	PGYPOBZJRVSMDS-UHFFFAOYSA-N
Molecular Formula	C29H34Cl2N2O2

3,195

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2-Chloro-N-phenylbenzamide, 97%, Thermo Scientific Chemicals

CAS: 6833-13-2 Molecular Formula: C13H10ClNO Molecular Weight (g/mol): 231.68 MDL Number: MFCD00016336 InChI Key: AXQVIWHAEYLGLO-UHFFFAOYSA-N Synonym: 2-chlorobenzanilide,o-chlorobenzanilide,2-chlorobenzoanilide,benzamide, 2-chloro-n-phenyl,2-chlorobenzoic acid anilide,benzanilide, 2-chloro,n-phenyl-2-chlorobenzamide,2-chloro-n-phenyl benzamide,2-chloro-n-phenyl-benzamide,2-chlorophenyl-n-benzamide PubChem CID: 23265 IUPAC Name: 2-chloro-N-phenylbenzamide SMILES: ClC1=CC=CC=C1C(=O)NC1=CC=CC=C1

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Specifications

PubChem CID	23265
CAS	6833-13-2
Molecular Weight (g/mol)	231.68
MDL Number	MFCD00016336
SMILES	ClC1=CC=CC=C1C(=O)NC1=CC=CC=C1
Synonym	2-chlorobenzanilide,o-chlorobenzanilide,2-chlorobenzoanilide,benzamide, 2-chloro-n-phenyl,2-chlorobenzoic acid anilide,benzanilide, 2-chloro,n-phenyl-2-chlorobenzamide,2-chloro-n-phenyl benzamide,2-chloro-n-phenyl-benzamide,2-chlorophenyl-n-benzamide
IUPAC Name	2-chloro-N-phenylbenzamide
InChI Key	AXQVIWHAEYLGLO-UHFFFAOYSA-N
Molecular Formula	C13H10ClNO

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