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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1,816 – 1,830 of 64,662 results

1,816

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1,4-Benzenedimethanol, 99%

CAS: 589-29-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00004665 InChI Key: BWVAOONFBYYRHY-UHFFFAOYSA-N Synonym: 1,4-benzenedimethanol,p-xylylene glycol,p-xylene glycol,terephthalyl alcohol,4-hydroxymethyl phenyl methanol,1,4-xylylene glycol,1,4-phenylenedimethanol,p-benzenedimethanol,p-xylylenediol,1,4-dimethylolbenzene PubChem CID: 11506 IUPAC Name: [4-(hydroxymethyl)phenyl]methanol SMILES: C1=CC(=CC=C1CO)CO

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Specifications

PubChem CID	11506
CAS	589-29-7
Molecular Weight (g/mol)	138.166
MDL Number	MFCD00004665
SMILES	C1=CC(=CC=C1CO)CO
Synonym	1,4-benzenedimethanol,p-xylylene glycol,p-xylene glycol,terephthalyl alcohol,4-hydroxymethyl phenyl methanol,1,4-xylylene glycol,1,4-phenylenedimethanol,p-benzenedimethanol,p-xylylenediol,1,4-dimethylolbenzene
IUPAC Name	[4-(hydroxymethyl)phenyl]methanol
InChI Key	BWVAOONFBYYRHY-UHFFFAOYSA-N
Molecular Formula	C8H10O2

1,817

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2-Phenoxyaniline, 98%

CAS: 2688-84-8 Molecular Formula: C12H11NO Molecular Weight (g/mol): 185.226 MDL Number: MFCD00035765 InChI Key: NMFFUUFPJJOWHK-UHFFFAOYSA-N Synonym: 2-aminodiphenyl ether,o-phenoxyaniline,2-aminophenyl phenyl ether,benzenamine, 2-phenoxy,2-ade,2-phenoxybenzenamine,o-aminophenyl phenyl ether,aniline, 2-phenoxy,aniline, o-phenoxy,2-phonoxyaniline PubChem CID: 75899 IUPAC Name: 2-phenoxyaniline SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2N

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Specifications

PubChem CID	75899
CAS	2688-84-8
Molecular Weight (g/mol)	185.226
MDL Number	MFCD00035765
SMILES	C1=CC=C(C=C1)OC2=CC=CC=C2N
Synonym	2-aminodiphenyl ether,o-phenoxyaniline,2-aminophenyl phenyl ether,benzenamine, 2-phenoxy,2-ade,2-phenoxybenzenamine,o-aminophenyl phenyl ether,aniline, 2-phenoxy,aniline, o-phenoxy,2-phonoxyaniline
IUPAC Name	2-phenoxyaniline
InChI Key	NMFFUUFPJJOWHK-UHFFFAOYSA-N
Molecular Formula	C12H11NO

1,818

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5-Bromo-2-methoxybenzaldehyde, 98+%

CAS: 25016-01-7 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00003347 InChI Key: IJIBRSFAXRFPPN-UHFFFAOYSA-N Synonym: 5-bromo-2-anisaldehyde,5-bromo-o-anisaldehyde,2-methoxy-5-bromobenzaldehyde,benzaldehyde, 5-bromo-2-methoxy,5-bromo-2-methoxy-benzaldehyde,pubchem2644,acmc-209ggg,intermediates-zcf02672,o-anisaldehyde, 5-bromo,ksc494q2j PubChem CID: 90684 IUPAC Name: 5-bromo-2-methoxybenzaldehyde SMILES: COC1=C(C=C(C=C1)Br)C=O

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Specifications

PubChem CID	90684
CAS	25016-01-7
Molecular Weight (g/mol)	215.046
MDL Number	MFCD00003347
SMILES	COC1=C(C=C(C=C1)Br)C=O
Synonym	5-bromo-2-anisaldehyde,5-bromo-o-anisaldehyde,2-methoxy-5-bromobenzaldehyde,benzaldehyde, 5-bromo-2-methoxy,5-bromo-2-methoxy-benzaldehyde,pubchem2644,acmc-209ggg,intermediates-zcf02672,o-anisaldehyde, 5-bromo,ksc494q2j
IUPAC Name	5-bromo-2-methoxybenzaldehyde
InChI Key	IJIBRSFAXRFPPN-UHFFFAOYSA-N
Molecular Formula	C8H7BrO2

1,819

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4-Ethylbenzoic acid, 97%

CAS: 619-64-7 Molecular Formula: C₉H₁₀O₂ Molecular Weight (g/mol): 150.18 MDL Number: MFCD00002570 InChI Key: ZQVKTHRQIXSMGY-UHFFFAOYSA-N Synonym: benzoic acid, 4-ethyl,p-ethylbenzoic acid,4-ethyl benzoic acid,4-ethyl-benzoic acid,unii-9tkm8p0g6r,9tkm8p0g6r,p-ethylbenzoate,4-ethyl benzoate,4-ethylbenzoicacid,p-ethylbenzoic acid; PubChem CID: 12086 IUPAC Name: 4-ethylbenzoic acid SMILES: CCC1=CC=C(C=C1)C(=O)O

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Specifications

PubChem CID	12086
CAS	619-64-7
Molecular Weight (g/mol)	150.18
MDL Number	MFCD00002570
SMILES	CCC1=CC=C(C=C1)C(=O)O
Synonym	benzoic acid, 4-ethyl,p-ethylbenzoic acid,4-ethyl benzoic acid,4-ethyl-benzoic acid,unii-9tkm8p0g6r,9tkm8p0g6r,p-ethylbenzoate,4-ethyl benzoate,4-ethylbenzoicacid,p-ethylbenzoic acid;
IUPAC Name	4-ethylbenzoic acid
InChI Key	ZQVKTHRQIXSMGY-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀O₂

1,820

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Benzyl 3-bromopropyl ether, 95%

CAS: 54314-84-0 Molecular Formula: C10H13BrO Molecular Weight (g/mol): 229.12 MDL Number: MFCD00134570 InChI Key: PSUXTZLDBVEZTD-UHFFFAOYSA-N Synonym: benzyl 3-bromopropyl ether,3-bromopropoxy methyl benzene,3-bromopropylbenzyl ether,3-benzyloxy-1-bromopropane,3-benzyloxy propyl bromide,benzene, 3-bromopropoxy methyl,1-3-bromopropoxy methyl benzene,benzyl3-bromopropylether PubChem CID: 2776064 IUPAC Name: [(3-bromopropoxy)methyl]benzene SMILES: BrCCCOCC1=CC=CC=C1

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Specifications

PubChem CID	2776064
CAS	54314-84-0
Molecular Weight (g/mol)	229.12
MDL Number	MFCD00134570
SMILES	BrCCCOCC1=CC=CC=C1
Synonym	benzyl 3-bromopropyl ether,3-bromopropoxy methyl benzene,3-bromopropylbenzyl ether,3-benzyloxy-1-bromopropane,3-benzyloxy propyl bromide,benzene, 3-bromopropoxy methyl,1-3-bromopropoxy methyl benzene,benzyl3-bromopropylether
IUPAC Name	[(3-bromopropoxy)methyl]benzene
InChI Key	PSUXTZLDBVEZTD-UHFFFAOYSA-N
Molecular Formula	C10H13BrO

1,821

Dextromethorphan hydrobromide

CAS: 125-69-9 Molecular Formula: C18H26BrNO Molecular Weight (g/mol): 352.316 MDL Number: MFCD02173901 InChI Key: MISZALMBODQYFT-URVXVIKDSA-N Synonym: dextromethorphan hydrobromide,antussan,demorphan,dormethan,metrorat,medicon,tusilan,tussade,d-methorphan hydrobromide,romilar PubChem CID: 5464025 SMILES: CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC.Br

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Specifications

PubChem CID	5464025
CAS	125-69-9
Molecular Weight (g/mol)	352.316
MDL Number	MFCD02173901
SMILES	CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC.Br
Synonym	dextromethorphan hydrobromide,antussan,demorphan,dormethan,metrorat,medicon,tusilan,tussade,d-methorphan hydrobromide,romilar
InChI Key	MISZALMBODQYFT-URVXVIKDSA-N
Molecular Formula	C18H26BrNO

1,822

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4-Chloro-3-fluorobenzyl bromide, 97%

CAS: 206362-80-3 Molecular Formula: C7H5BrClF Molecular Weight (g/mol): 223.47 MDL Number: MFCD04115859 InChI Key: CNUYBEIHDWMLSD-UHFFFAOYSA-N Synonym: 4-bromomethyl-1-chloro-2-fluorobenzene,4-chloro-3-fluorobenzyl bromide,3-fluoro-4-chlorobenzyl bromide,3-fluoro-4-chlorobenzylbromide,4-chloro-3-fluorobenzylbromide,alpha-bromo-4-chloro-3-fluorotoluene,4-chloro-3 fluoro benzyl bromide,benzene, 4-bromomethyl-1-chloro-2-fluoro,pubchem4898,acmc-209fcn PubChem CID: 2783136 IUPAC Name: 4-(bromomethyl)-1-chloro-2-fluorobenzene SMILES: FC1=C(Cl)C=CC(CBr)=C1

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Specifications

PubChem CID	2783136
CAS	206362-80-3
Molecular Weight (g/mol)	223.47
MDL Number	MFCD04115859
SMILES	FC1=C(Cl)C=CC(CBr)=C1
Synonym	4-bromomethyl-1-chloro-2-fluorobenzene,4-chloro-3-fluorobenzyl bromide,3-fluoro-4-chlorobenzyl bromide,3-fluoro-4-chlorobenzylbromide,4-chloro-3-fluorobenzylbromide,alpha-bromo-4-chloro-3-fluorotoluene,4-chloro-3 fluoro benzyl bromide,benzene, 4-bromomethyl-1-chloro-2-fluoro,pubchem4898,acmc-209fcn
IUPAC Name	4-(bromomethyl)-1-chloro-2-fluorobenzene
InChI Key	CNUYBEIHDWMLSD-UHFFFAOYSA-N
Molecular Formula	C7H5BrClF

1,823

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4-Trifluoromethyl-alpha-toluenesulfonyl chloride, 97%, Thermo Scientific Chemicals

CAS: 163295-75-8 Molecular Formula: C8H6ClF3O2S Molecular Weight (g/mol): 258.64 MDL Number: MFCD01631932 InChI Key: KKBNUPMMAGEQAT-UHFFFAOYSA-N Synonym: 4-trifluoromethyl phenyl methanesulfonyl chloride,4-trifluoromethylbenzylsulfonyl chloride,4-trifluoromethyl benzylsulfonyl chloride,4-trifluoromethyl phenyl methyl sulfonyl chloride,4-chlorosulphonyl methyl benzotrifluoride,4-trifluoromethyl-alpha-toluenesulfonyl chloride,4-trifluoromethylphenyl methanesulfonyl chloride,4-trifluoromethyl-phenyl-methanesulfonyl chloride,alpha-chlorosulphonyl-4-trifluoromethyl toluene PubChem CID: 594332 IUPAC Name: [4-(trifluoromethyl)phenyl]methanesulfonyl chloride SMILES: FC(F)(F)C1=CC=C(CS(Cl)(=O)=O)C=C1

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Specifications

PubChem CID	594332
CAS	163295-75-8
Molecular Weight (g/mol)	258.64
MDL Number	MFCD01631932
SMILES	FC(F)(F)C1=CC=C(CS(Cl)(=O)=O)C=C1
Synonym	4-trifluoromethyl phenyl methanesulfonyl chloride,4-trifluoromethylbenzylsulfonyl chloride,4-trifluoromethyl benzylsulfonyl chloride,4-trifluoromethyl phenyl methyl sulfonyl chloride,4-chlorosulphonyl methyl benzotrifluoride,4-trifluoromethyl-alpha-toluenesulfonyl chloride,4-trifluoromethylphenyl methanesulfonyl chloride,4-trifluoromethyl-phenyl-methanesulfonyl chloride,alpha-chlorosulphonyl-4-trifluoromethyl toluene
IUPAC Name	[4-(trifluoromethyl)phenyl]methanesulfonyl chloride
InChI Key	KKBNUPMMAGEQAT-UHFFFAOYSA-N
Molecular Formula	C8H6ClF3O2S

1,824

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Ethyl benzoylformate, 95%

CAS: 1603-79-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00009120 InChI Key: QKLCQKPAECHXCQ-UHFFFAOYSA-N Synonym: ethyl benzoylformate,ethyl phenylglyoxylate,ethyl oxophenylacetate,ethylbenzoylformate,phenylglyoxylic acid ethyl ester,ethyl oxo phenyl acetate,benzeneacetic acid, .alpha.-oxo-, ethyl ester,benzoylformic acid ethyl ester,ethyl benzoyl formate,glyoxylic acid, phenyl-, ethyl ester PubChem CID: 15349 ChEBI: CHEBI:84260 IUPAC Name: ethyl 2-oxo-2-phenylacetate SMILES: CCOC(=O)C(=O)C1=CC=CC=C1

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Specifications

PubChem CID	15349
CAS	1603-79-8
Molecular Weight (g/mol)	178.19
ChEBI	CHEBI:84260
MDL Number	MFCD00009120
SMILES	CCOC(=O)C(=O)C1=CC=CC=C1
Synonym	ethyl benzoylformate,ethyl phenylglyoxylate,ethyl oxophenylacetate,ethylbenzoylformate,phenylglyoxylic acid ethyl ester,ethyl oxo phenyl acetate,benzeneacetic acid, .alpha.-oxo-, ethyl ester,benzoylformic acid ethyl ester,ethyl benzoyl formate,glyoxylic acid, phenyl-, ethyl ester
IUPAC Name	ethyl 2-oxo-2-phenylacetate
InChI Key	QKLCQKPAECHXCQ-UHFFFAOYSA-N
Molecular Formula	C10H10O3

1,825

O-phthalaldehyde, 99.1%, MP Biomedicals™

CAS: 643-79-8 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.13 MDL Number: MFCD00003335 InChI Key: ZWLUXSQADUDCSB-UHFFFAOYSA-N Synonym: o-phthalaldehyde,o-phthaldialdehyde,benzene-1,2-dicarboxaldehyde,1,2-benzenedicarboxaldehyde,phthaldialdehyde,phthalic aldehyde,phthalic dialdehyde,phthalyldicarboxaldehyde,ortho-phthalaldehyde,o-phthaldehyde PubChem CID: 4807 ChEBI: CHEBI:70851 SMILES: O=CC1=CC=CC=C1C=O

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Specifications

PubChem CID	4807
CAS	643-79-8
Molecular Weight (g/mol)	134.13
ChEBI	CHEBI:70851
MDL Number	MFCD00003335
SMILES	O=CC1=CC=CC=C1C=O
Synonym	o-phthalaldehyde,o-phthaldialdehyde,benzene-1,2-dicarboxaldehyde,1,2-benzenedicarboxaldehyde,phthaldialdehyde,phthalic aldehyde,phthalic dialdehyde,phthalyldicarboxaldehyde,ortho-phthalaldehyde,o-phthaldehyde
InChI Key	ZWLUXSQADUDCSB-UHFFFAOYSA-N
Molecular Formula	C8H6O2

1,826

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1,3-Dichloro-2-iodobenzene, 98%

CAS: 19230-28-5 Molecular Formula: C6H3Cl2I Molecular Weight (g/mol): 272.89 MDL Number: MFCD00060658 InChI Key: ZMPGXSFTXBOKFM-UHFFFAOYSA-N PubChem CID: 140498 IUPAC Name: 1,3-dichloro-2-iodobenzene SMILES: ClC1=CC=CC(Cl)=C1I

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Specifications

PubChem CID	140498
CAS	19230-28-5
Molecular Weight (g/mol)	272.89
MDL Number	MFCD00060658
SMILES	ClC1=CC=CC(Cl)=C1I
IUPAC Name	1,3-dichloro-2-iodobenzene
InChI Key	ZMPGXSFTXBOKFM-UHFFFAOYSA-N
Molecular Formula	C6H3Cl2I

1,827

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Methyl 2-chloro-4-fluorophenylacetate, 98%

CAS: 214262-88-1 Molecular Formula: C9H8ClFO2 Molecular Weight (g/mol): 202.61 MDL Number: MFCD00800611 InChI Key: DFTYYBRLWCAUHP-UHFFFAOYSA-N Synonym: methyl 2-2-chloro-4-fluorophenyl acetate,methyl 2-chloro-4-fluorophenylacetate,benzeneacetic acid, 2-chloro-4-fluoro-, methyl ester,methyl-2-chloro-4-fluorophenylacetate,pubchem16488,methyl 2-chloro-4-fluorophenyl acetate,methyl2-2-chloro-4-fluorophenyl acetate,2-chloro-4-fluorophenyl-acetic acid methyl ester,2-chloro-4-fluorophenyl acetic acid methyl ester,methyl 2-chloro-4-fluorophenylacetate 98 PubChem CID: 736123 IUPAC Name: methyl 2-(2-chloro-4-fluorophenyl)acetate SMILES: COC(=O)CC1=CC=C(F)C=C1Cl

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Specifications

PubChem CID	736123
CAS	214262-88-1
Molecular Weight (g/mol)	202.61
MDL Number	MFCD00800611
SMILES	COC(=O)CC1=CC=C(F)C=C1Cl
Synonym	methyl 2-2-chloro-4-fluorophenyl acetate,methyl 2-chloro-4-fluorophenylacetate,benzeneacetic acid, 2-chloro-4-fluoro-, methyl ester,methyl-2-chloro-4-fluorophenylacetate,pubchem16488,methyl 2-chloro-4-fluorophenyl acetate,methyl2-2-chloro-4-fluorophenyl acetate,2-chloro-4-fluorophenyl-acetic acid methyl ester,2-chloro-4-fluorophenyl acetic acid methyl ester,methyl 2-chloro-4-fluorophenylacetate 98
IUPAC Name	methyl 2-(2-chloro-4-fluorophenyl)acetate
InChI Key	DFTYYBRLWCAUHP-UHFFFAOYSA-N
Molecular Formula	C9H8ClFO2

1,828

2-[(4-Methylpiperazin-1-yl)methyl]benzonitrile, ≥97%, Thermo Scientific™

CAS: 864069-00-1 Molecular Formula: C13H17N3 Molecular Weight (g/mol): 215.3 MDL Number: MFCD08271956 InChI Key: SZENQRLSNAOEPP-UHFFFAOYSA-N Synonym: 2-4-methylpiperazin-1-yl methyl benzonitrile,benzonitrile,2-4-methyl-1-piperazinyl methyl,2-4-methylpiperazinyl methyl benzenecarbonitrile PubChem CID: 18525814 IUPAC Name: 2-[(4-methylpiperazin-1-yl)methyl]benzonitrile SMILES: CN1CCN(CC1)CC2=CC=CC=C2C#N

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Specifications

PubChem CID	18525814
CAS	864069-00-1
Molecular Weight (g/mol)	215.3
MDL Number	MFCD08271956
SMILES	CN1CCN(CC1)CC2=CC=CC=C2C#N
Synonym	2-4-methylpiperazin-1-yl methyl benzonitrile,benzonitrile,2-4-methyl-1-piperazinyl methyl,2-4-methylpiperazinyl methyl benzenecarbonitrile
IUPAC Name	2-[(4-methylpiperazin-1-yl)methyl]benzonitrile
InChI Key	SZENQRLSNAOEPP-UHFFFAOYSA-N
Molecular Formula	C13H17N3

1,829

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3-Ethoxy-4-methoxybenzoic acid, 98%

CAS: 2651-55-0 Molecular Formula: C10H11O4 Molecular Weight (g/mol): 195.20 MDL Number: MFCD00276591 InChI Key: DMSAIFTWQMXOBE-UHFFFAOYSA-M Synonym: benzoic acid,3-ethoxy-4-methoxy,maybridge1_005010,3-ethoxy-4-methoxybenzoicacid,acmc-1cqm3 PubChem CID: 2822957 IUPAC Name: 3-ethoxy-4-methoxybenzoic acid SMILES: CCOC1=CC(=CC=C1OC)C([O-])=O

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Specifications

PubChem CID	2822957
CAS	2651-55-0
Molecular Weight (g/mol)	195.20
MDL Number	MFCD00276591
SMILES	CCOC1=CC(=CC=C1OC)C([O-])=O
Synonym	benzoic acid,3-ethoxy-4-methoxy,maybridge1_005010,3-ethoxy-4-methoxybenzoicacid,acmc-1cqm3
IUPAC Name	3-ethoxy-4-methoxybenzoic acid
InChI Key	DMSAIFTWQMXOBE-UHFFFAOYSA-M
Molecular Formula	C10H11O4

1,830

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1-Bromo-2-nitrobenzene, 99%

CAS: 577-19-5 Molecular Formula: C6H4BrNO2 Molecular Weight (g/mol): 202.007 MDL Number: MFCD00007045 InChI Key: ORPVVAKYSXQCJI-UHFFFAOYSA-N Synonym: 2-bromonitrobenzene,o-bromonitrobenzene,o-nitrobromobenzene,2-nitrobromobenzene,benzene, 1-bromo-2-nitro,o-nitrophenyl bromide,2-bromo-1-nitrobenzene,1-bromo-2-nitro-benzene,2-bromo nitrobenzene,benzene, bromonitro PubChem CID: 11341 IUPAC Name: 1-bromo-2-nitrobenzene SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])Br

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Specifications

PubChem CID	11341
CAS	577-19-5
Molecular Weight (g/mol)	202.007
MDL Number	MFCD00007045
SMILES	C1=CC=C(C(=C1)[N+](=O)[O-])Br
Synonym	2-bromonitrobenzene,o-bromonitrobenzene,o-nitrobromobenzene,2-nitrobromobenzene,benzene, 1-bromo-2-nitro,o-nitrophenyl bromide,2-bromo-1-nitrobenzene,1-bromo-2-nitro-benzene,2-bromo nitrobenzene,benzene, bromonitro
IUPAC Name	1-bromo-2-nitrobenzene
InChI Key	ORPVVAKYSXQCJI-UHFFFAOYSA-N
Molecular Formula	C6H4BrNO2

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Benzene and substituted derivatives

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