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Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Benzene and substituted derivatives (129,916)
Phenols (25,078)
Naphthalenes (6,360)
Phenol esters (4,811)
Unsubstituted Phenols (1,436)
Fluorenes (1,294)
Thiophenols (761)
Anthracenes (515)
Indanes (488)
Phenanthrenes and derivatives (364)
Tetralins (336)
Pyrenes (277)
Triphenyl compounds (277)
Dibenzocycloheptenes (60)
Naphthacenes (35)
Ellagic acids and derivatives (33)
Pentacenes (22)
Acenaphthylenes (16)
Pentacenequinones (16)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (6)

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2,506 – 2,520 of 158,801 results
2,506
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5-Chloro-2-methylaniline, 98%

CAS: 95-79-4 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.60 MDL Number: MFCD00007779 InChI Key: WRZOMWDJOLIVQP-UHFFFAOYSA-N Synonym: 5-chloro-o-toluidine,2-amino-4-chlorotoluene,2-methyl-5-chloroaniline,fast red kb base,benzenamine, 5-chloro-2-methyl,ansibase red kb,red kb base,4-chloro-2-aminotoluene,3-chloro-6-methylaniline,pharmazoid red kb PubChem CID: 7260 ChEBI: CHEBI:82422 IUPAC Name: 5-chloro-2-methylaniline SMILES: CC1=CC=C(Cl)C=C1N

PubChem CID 7260
CAS 95-79-4
Molecular Weight (g/mol) 141.60
ChEBI CHEBI:82422
MDL Number MFCD00007779
SMILES CC1=CC=C(Cl)C=C1N
Synonym 5-chloro-o-toluidine,2-amino-4-chlorotoluene,2-methyl-5-chloroaniline,fast red kb base,benzenamine, 5-chloro-2-methyl,ansibase red kb,red kb base,4-chloro-2-aminotoluene,3-chloro-6-methylaniline,pharmazoid red kb
IUPAC Name 5-chloro-2-methylaniline
InChI Key WRZOMWDJOLIVQP-UHFFFAOYSA-N
Molecular Formula C7H8ClN
2,507
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2-Bromobenzylamine, 96%

CAS: 3959-05-5 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.05 MDL Number: MFCD00025572 InChI Key: NOYASZMZIBFFNZ-UHFFFAOYSA-N Synonym: 2-bromobenzylamine,2-bromophenyl methanamine,o-bromobenzylamine,2-bromophenyl methylamine,1-2-bromophenyl methanamine,2-brobenzylamine,2-bromo-benzylamine,pubchem20398,acmc-1ct06,benzenemethanamine, 2-bromo PubChem CID: 334072 IUPAC Name: (2-bromophenyl)methanamine SMILES: C1=CC=C(C(=C1)CN)Br

PubChem CID 334072
CAS 3959-05-5
Molecular Weight (g/mol) 186.05
MDL Number MFCD00025572
SMILES C1=CC=C(C(=C1)CN)Br
Synonym 2-bromobenzylamine,2-bromophenyl methanamine,o-bromobenzylamine,2-bromophenyl methylamine,1-2-bromophenyl methanamine,2-brobenzylamine,2-bromo-benzylamine,pubchem20398,acmc-1ct06,benzenemethanamine, 2-bromo
IUPAC Name (2-bromophenyl)methanamine
InChI Key NOYASZMZIBFFNZ-UHFFFAOYSA-N
Molecular Formula C7H8BrN
2,508
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1-Fluoro-3-iodobenzene, 99%

CAS: 1121-86-4 Molecular Formula: C6H4FI Molecular Weight (g/mol): 222.00 MDL Number: MFCD00001044 InChI Key: VSKSBSORLCDRHS-UHFFFAOYSA-N Synonym: 3-fluoroiodobenzene,m-fluoroiodobenzene,3-iodofluorobenzene,m-iodofluorobenzene,benzene, 1-fluoro-3-iodo,m-fluorobenzene,1-fluoro-3-iodo-benzene,1-iodo-3-fluorobenzene,3-fluoro-1-iodobenzene,m-fluorjodbenzol PubChem CID: 70725 IUPAC Name: 1-fluoro-3-iodobenzene SMILES: FC1=CC=CC(I)=C1

PubChem CID 70725
CAS 1121-86-4
Molecular Weight (g/mol) 222.00
MDL Number MFCD00001044
SMILES FC1=CC=CC(I)=C1
Synonym 3-fluoroiodobenzene,m-fluoroiodobenzene,3-iodofluorobenzene,m-iodofluorobenzene,benzene, 1-fluoro-3-iodo,m-fluorobenzene,1-fluoro-3-iodo-benzene,1-iodo-3-fluorobenzene,3-fluoro-1-iodobenzene,m-fluorjodbenzol
IUPAC Name 1-fluoro-3-iodobenzene
InChI Key VSKSBSORLCDRHS-UHFFFAOYSA-N
Molecular Formula C6H4FI
2,509
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4-Ethoxybenzoic acid, 98+%

CAS: 619-86-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002545 InChI Key: SHSGDXCJYVZFTP-UHFFFAOYSA-N Synonym: p-ethoxybenzoic acid,benzoic acid, 4-ethoxy,benzoic acid, p-ethoxy,4-ethoxy-benzoic acid,unii-tzr23xeq7w,tzr23xeq7w,4-ethoxybenzoicacid,4ethoxybenzoic acid,pubchem2686,para-ethoxybenzoic acid PubChem CID: 12093 IUPAC Name: 4-ethoxybenzoic acid SMILES: CCOC1=CC=C(C=C1)C(=O)O

PubChem CID 12093
CAS 619-86-3
Molecular Weight (g/mol) 166.176
MDL Number MFCD00002545
SMILES CCOC1=CC=C(C=C1)C(=O)O
Synonym p-ethoxybenzoic acid,benzoic acid, 4-ethoxy,benzoic acid, p-ethoxy,4-ethoxy-benzoic acid,unii-tzr23xeq7w,tzr23xeq7w,4-ethoxybenzoicacid,4ethoxybenzoic acid,pubchem2686,para-ethoxybenzoic acid
IUPAC Name 4-ethoxybenzoic acid
InChI Key SHSGDXCJYVZFTP-UHFFFAOYSA-N
Molecular Formula C9H10O3
2,510
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4-Bromo-1,2-difluorobenzene, 98+%

CAS: 348-61-8 Molecular Formula: C6H3BrF2 Molecular Weight (g/mol): 192.99 MDL Number: MFCD00000304 InChI Key: YMQPKONILWWJQG-UHFFFAOYSA-N Synonym: 1-bromo-3,4-difluorobenzene,3,4-difluorobromobenzene,benzene, 4-bromo-1,2-difluoro,3,4-difluorobromebenzene,4-bromo-1,2-difluoro-benzene,3,4-difluoro-1-bromobenzene,paragos 390209,fr bf de,pubchem2303,3,4-difluorophenylbromide PubChem CID: 67675 IUPAC Name: 4-bromo-1,2-difluorobenzene SMILES: FC1=CC=C(Br)C=C1F

PubChem CID 67675
CAS 348-61-8
Molecular Weight (g/mol) 192.99
MDL Number MFCD00000304
SMILES FC1=CC=C(Br)C=C1F
Synonym 1-bromo-3,4-difluorobenzene,3,4-difluorobromobenzene,benzene, 4-bromo-1,2-difluoro,3,4-difluorobromebenzene,4-bromo-1,2-difluoro-benzene,3,4-difluoro-1-bromobenzene,paragos 390209,fr bf de,pubchem2303,3,4-difluorophenylbromide
IUPAC Name 4-bromo-1,2-difluorobenzene
InChI Key YMQPKONILWWJQG-UHFFFAOYSA-N
Molecular Formula C6H3BrF2
2,511
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2,4-Difluorophenyl isocyanate, 98+%

CAS: 59025-55-7 Molecular Formula: C7H3F2NO Molecular Weight (g/mol): 155.10 MDL Number: MFCD00001997 InChI Key: HNENEALJPWJWJY-UHFFFAOYSA-N Synonym: 2,4-difluorophenyl isocyanate,2,4-difluorophenylisocyanate,benzene, 2,4-difluoro-1-isocyanato,isocyanic acid 2,4-difluorophenyl ester,2,4-difluoro-1-isocyanato-benzene,2,4-difluoroisocyanatobenzene,timtec-bb sbb006537,pubchem4453,2,4-diflurophenylisocyanate,acmc-1b06k PubChem CID: 593258 IUPAC Name: 2,4-difluoro-1-isocyanatobenzene SMILES: FC1=CC=C(N=C=O)C(F)=C1

PubChem CID 593258
CAS 59025-55-7
Molecular Weight (g/mol) 155.10
MDL Number MFCD00001997
SMILES FC1=CC=C(N=C=O)C(F)=C1
Synonym 2,4-difluorophenyl isocyanate,2,4-difluorophenylisocyanate,benzene, 2,4-difluoro-1-isocyanato,isocyanic acid 2,4-difluorophenyl ester,2,4-difluoro-1-isocyanato-benzene,2,4-difluoroisocyanatobenzene,timtec-bb sbb006537,pubchem4453,2,4-diflurophenylisocyanate,acmc-1b06k
IUPAC Name 2,4-difluoro-1-isocyanatobenzene
InChI Key HNENEALJPWJWJY-UHFFFAOYSA-N
Molecular Formula C7H3F2NO
2,512
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4-Bromomandelic acid, 98+%

CAS: 6940-50-7 Molecular Formula: C8H7BrO3 Molecular Weight (g/mol): 231.05 MDL Number: MFCD00004232 InChI Key: BHZBRPQOYFDTAB-UHFFFAOYNA-N Synonym: 4-bromomandelic acid,2-4-bromophenyl-2-hydroxyacetic acid,p-bromomandelic acid,p-bromo mandelic acid,4-bromo-dl-mandelic acid,benzeneacetic acid, 4-bromo-.alpha.-hydroxy,4-bromophenyl hydroxy acetic acid,4-bromo-alpha-hydroxyphenylacetic acid,4-bromo-hydroxybenzeneaceticacid,mandelic acid, p-bromo PubChem CID: 97930 IUPAC Name: 2-(4-bromophenyl)-2-hydroxyacetic acid SMILES: OC(C(O)=O)C1=CC=C(Br)C=C1

PubChem CID 97930
CAS 6940-50-7
Molecular Weight (g/mol) 231.05
MDL Number MFCD00004232
SMILES OC(C(O)=O)C1=CC=C(Br)C=C1
Synonym 4-bromomandelic acid,2-4-bromophenyl-2-hydroxyacetic acid,p-bromomandelic acid,p-bromo mandelic acid,4-bromo-dl-mandelic acid,benzeneacetic acid, 4-bromo-.alpha.-hydroxy,4-bromophenyl hydroxy acetic acid,4-bromo-alpha-hydroxyphenylacetic acid,4-bromo-hydroxybenzeneaceticacid,mandelic acid, p-bromo
IUPAC Name 2-(4-bromophenyl)-2-hydroxyacetic acid
InChI Key BHZBRPQOYFDTAB-UHFFFAOYNA-N
Molecular Formula C8H7BrO3
2,513
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Methyl 4-nitrobenzoate, 99%

CAS: 619-50-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007350 InChI Key: YOJAHJGBFDPSDI-UHFFFAOYSA-N Synonym: methyl p-nitrobenzoate,benzoic acid, 4-nitro-, methyl ester,p-nitrobenzoic acid methyl ester,methyl-p-nitrobenzoate,methyl-4-nitrobenzoate,benzoic acid, p-nitro-, methyl ester,p-carbomethoxynitrobenzene,unii-nmn8cth864,nmn8cth864,4-nitrobenzoic acid methyl ester PubChem CID: 12083 IUPAC Name: methyl 4-nitrobenzoate SMILES: COC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

PubChem CID 12083
CAS 619-50-1
Molecular Weight (g/mol) 181.147
MDL Number MFCD00007350
SMILES COC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Synonym methyl p-nitrobenzoate,benzoic acid, 4-nitro-, methyl ester,p-nitrobenzoic acid methyl ester,methyl-p-nitrobenzoate,methyl-4-nitrobenzoate,benzoic acid, p-nitro-, methyl ester,p-carbomethoxynitrobenzene,unii-nmn8cth864,nmn8cth864,4-nitrobenzoic acid methyl ester
IUPAC Name methyl 4-nitrobenzoate
InChI Key YOJAHJGBFDPSDI-UHFFFAOYSA-N
Molecular Formula C8H7NO4
2,514
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Cinnamonitrile, 97%, predominantly trans

CAS: 1885-38-7 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.16 MDL Number: MFCD00001930 InChI Key: ZWKNLRXFUTWSOY-QPJJXVBHSA-N Synonym: cinnamonitrile,trans-cinnamonitrile,styryl cyanide,cinnamyl nitrile,3-phenylacrylonitrile,beta-cyanostyrene,cinnamonitrile, e,3-phenyl-2-propenenitrile,acrylonitrile, 3-phenyl,e-3-phenylprop-2-enenitrile PubChem CID: 1550846 IUPAC Name: (E)-3-phenylprop-2-enenitrile SMILES: C1=CC=C(C=C1)C=CC#N

PubChem CID 1550846
CAS 1885-38-7
Molecular Weight (g/mol) 129.16
MDL Number MFCD00001930
SMILES C1=CC=C(C=C1)C=CC#N
Synonym cinnamonitrile,trans-cinnamonitrile,styryl cyanide,cinnamyl nitrile,3-phenylacrylonitrile,beta-cyanostyrene,cinnamonitrile, e,3-phenyl-2-propenenitrile,acrylonitrile, 3-phenyl,e-3-phenylprop-2-enenitrile
IUPAC Name (E)-3-phenylprop-2-enenitrile
InChI Key ZWKNLRXFUTWSOY-QPJJXVBHSA-N
Molecular Formula C9H7N
2,515
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3,4-Dimethoxyaniline, 98+%

CAS: 6315-89-5 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.181 MDL Number: MFCD00008394 InChI Key: LGDHZCLREKIGKJ-UHFFFAOYSA-N Synonym: 4-aminoveratrole,benzenamine, 3,4-dimethoxy,4-aminoveratrol,3,4-dimethoxybenzenamine,2-methoxy-4-aminoanisole,3,4-dimethoxy aniline,aniline, 3,4-dimethoxy,3,4-dimethyloxy aniline,3,4-dimethoxy-phenylamine PubChem CID: 22770 IUPAC Name: 3,4-dimethoxyaniline SMILES: COC1=C(C=C(C=C1)N)OC

PubChem CID 22770
CAS 6315-89-5
Molecular Weight (g/mol) 153.181
MDL Number MFCD00008394
SMILES COC1=C(C=C(C=C1)N)OC
Synonym 4-aminoveratrole,benzenamine, 3,4-dimethoxy,4-aminoveratrol,3,4-dimethoxybenzenamine,2-methoxy-4-aminoanisole,3,4-dimethoxy aniline,aniline, 3,4-dimethoxy,3,4-dimethyloxy aniline,3,4-dimethoxy-phenylamine
IUPAC Name 3,4-dimethoxyaniline
InChI Key LGDHZCLREKIGKJ-UHFFFAOYSA-N
Molecular Formula C8H11NO2
2,516
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2-Nitrobenzyl bromide, 98+%

CAS: 3958-60-9 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD00007184 InChI Key: HXBMIQJOSHZCFX-UHFFFAOYSA-N Synonym: 2-nitrobenzyl bromide,1-bromomethyl-2-nitrobenzene,o-nitrobenzyl bromide,alpha-bromo-2-nitrotoluene,2-bromomethyl nitrobenzene,1-bromomethyl-2-nitro-benzene,benzene, 1-bromomethyl-2-nitro,ccris 7966,2-nitro benzyl bromide,2-nitro-benzyl bromide PubChem CID: 77569 IUPAC Name: 1-(bromomethyl)-2-nitrobenzene SMILES: C1=CC=C(C(=C1)CBr)[N+](=O)[O-]

PubChem CID 77569
CAS 3958-60-9
Molecular Weight (g/mol) 216.034
MDL Number MFCD00007184
SMILES C1=CC=C(C(=C1)CBr)[N+](=O)[O-]
Synonym 2-nitrobenzyl bromide,1-bromomethyl-2-nitrobenzene,o-nitrobenzyl bromide,alpha-bromo-2-nitrotoluene,2-bromomethyl nitrobenzene,1-bromomethyl-2-nitro-benzene,benzene, 1-bromomethyl-2-nitro,ccris 7966,2-nitro benzyl bromide,2-nitro-benzyl bromide
IUPAC Name 1-(bromomethyl)-2-nitrobenzene
InChI Key HXBMIQJOSHZCFX-UHFFFAOYSA-N
Molecular Formula C7H6BrNO2
2,517
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1-[4-(Trifluoromethyl)phenyl]ethanol, 96%

CAS: 1737-26-4 Molecular Formula: C9H9F3O Molecular Weight (g/mol): 190.165 MDL Number: MFCD00039618 InChI Key: YMXIDIAEXNLCFT-UHFFFAOYSA-N Synonym: 1-4-trifluoromethyl phenyl ethanol,1-4-trifluoromethyl phenyl ethan-1-ol,a-methyl-4-trifluoromethylbenzyl alcohol,alpha-methyl-4-trifluoromethylbenzyl alcohol,alpha-methyl-4-trifluoromethyl benzyl alcohol,acmc-1boxb,1-4-trifluoromethylphenyl-ethanol,1-4-trifluoromethyl-phenyl-ethanol,alpha-methyl-4 trifluoromethyl benzyl alcohol PubChem CID: 137186 IUPAC Name: 1-[4-(trifluoromethyl)phenyl]ethanol SMILES: CC(C1=CC=C(C=C1)C(F)(F)F)O

PubChem CID 137186
CAS 1737-26-4
Molecular Weight (g/mol) 190.165
MDL Number MFCD00039618
SMILES CC(C1=CC=C(C=C1)C(F)(F)F)O
Synonym 1-4-trifluoromethyl phenyl ethanol,1-4-trifluoromethyl phenyl ethan-1-ol,a-methyl-4-trifluoromethylbenzyl alcohol,alpha-methyl-4-trifluoromethylbenzyl alcohol,alpha-methyl-4-trifluoromethyl benzyl alcohol,acmc-1boxb,1-4-trifluoromethylphenyl-ethanol,1-4-trifluoromethyl-phenyl-ethanol,alpha-methyl-4 trifluoromethyl benzyl alcohol
IUPAC Name 1-[4-(trifluoromethyl)phenyl]ethanol
InChI Key YMXIDIAEXNLCFT-UHFFFAOYSA-N
Molecular Formula C9H9F3O
2,518
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(S)-(-)-1-(4-Fluorophenyl)ethyl isocyanate, 95%

CAS: 745783-74-8 Molecular Formula: C9H8FNO Molecular Weight (g/mol): 165.167 MDL Number: MFCD05664076 InChI Key: MUHCZVYPBWOTTJ-ZETCQYMHSA-N Synonym: s---1-4-fluorophenyl ethyl isocyanate,1-fluoro-4-1s-1-isocyanatoethyl benzene,benzene, 1-fluoro-4-1s-1-isocyanatoethyl-9ci PubChem CID: 7018264 IUPAC Name: 1-fluoro-4-[(1S)-1-isocyanatoethyl]benzene SMILES: CC(C1=CC=C(C=C1)F)N=C=O

PubChem CID 7018264
CAS 745783-74-8
Molecular Weight (g/mol) 165.167
MDL Number MFCD05664076
SMILES CC(C1=CC=C(C=C1)F)N=C=O
Synonym s---1-4-fluorophenyl ethyl isocyanate,1-fluoro-4-1s-1-isocyanatoethyl benzene,benzene, 1-fluoro-4-1s-1-isocyanatoethyl-9ci
IUPAC Name 1-fluoro-4-[(1S)-1-isocyanatoethyl]benzene
InChI Key MUHCZVYPBWOTTJ-ZETCQYMHSA-N
Molecular Formula C9H8FNO
2,519
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2-Amino-5-chlorobenzaldehyde, 97%

CAS: 20028-53-9 Molecular Formula: C7H6ClNO Molecular Weight (g/mol): 155.581 MDL Number: MFCD02093936 InChI Key: KUIFMGITZFDQMP-UHFFFAOYSA-N Synonym: pubchem7364,acmc-209vm9,3-chloro-6-aminobenzaldehyde,2-amino-5-chloro-benzaldehyde,2-amino-5-chlorobenz-aldehyde,5-chloroanthranilaldehyde PubChem CID: 2773898 IUPAC Name: 2-amino-5-chlorobenzaldehyde SMILES: C1=CC(=C(C=C1Cl)C=O)N

PubChem CID 2773898
CAS 20028-53-9
Molecular Weight (g/mol) 155.581
MDL Number MFCD02093936
SMILES C1=CC(=C(C=C1Cl)C=O)N
Synonym pubchem7364,acmc-209vm9,3-chloro-6-aminobenzaldehyde,2-amino-5-chloro-benzaldehyde,2-amino-5-chlorobenz-aldehyde,5-chloroanthranilaldehyde
IUPAC Name 2-amino-5-chlorobenzaldehyde
InChI Key KUIFMGITZFDQMP-UHFFFAOYSA-N
Molecular Formula C7H6ClNO
2,520
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Methyl 2-amino-5-chlorobenzoate, 98+%

CAS: 5202-89-1 Molecular Formula: C8H8ClNO2 Molecular Weight (g/mol): 185.607 MDL Number: MFCD00007837 InChI Key: IGHVUURTQGBABT-UHFFFAOYSA-N Synonym: methyl 5-chloroanthranilate,methyl2-amino-5-chlorobenzoate,5-chloroanthranilic acid methyl ester,benzoic acid, 2-amino-5-chloro-, methyl ester,2-amino-5-chlorobenzoic acid methyl ester,anthranilic acid, 5-chloro-, methyl ester,2-amino-5-chloro-benzoic acid methyl ester,pubchem3346,acmc-1axns,methyl-5-chloroanthranilate PubChem CID: 78878 IUPAC Name: methyl 2-amino-5-chlorobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)Cl)N

PubChem CID 78878
CAS 5202-89-1
Molecular Weight (g/mol) 185.607
MDL Number MFCD00007837
SMILES COC(=O)C1=C(C=CC(=C1)Cl)N
Synonym methyl 5-chloroanthranilate,methyl2-amino-5-chlorobenzoate,5-chloroanthranilic acid methyl ester,benzoic acid, 2-amino-5-chloro-, methyl ester,2-amino-5-chlorobenzoic acid methyl ester,anthranilic acid, 5-chloro-, methyl ester,2-amino-5-chloro-benzoic acid methyl ester,pubchem3346,acmc-1axns,methyl-5-chloroanthranilate
IUPAC Name methyl 2-amino-5-chlorobenzoate
InChI Key IGHVUURTQGBABT-UHFFFAOYSA-N
Molecular Formula C8H8ClNO2