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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 (129,028)
Phenols (24,822)
Naphthalenes (6,308)
Phenol esters (4,717)
Unsubstituted Phenols (1,456)
Fluorenes (1,284)
Thiophenols (749)
Anthracenes (510)
Indanes (479)
Phenanthrenes and derivatives (359)
Tetralins (342)
Triphenyl compounds (280)
Pyrenes (267)
Dibenzocycloheptenes (60)
Naphthacenes (35)
Ellagic acids and derivatives (33)
Pentacenes (20)
Acenaphthylenes (17)
Pentacenequinones (17)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (5)

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2,041 – 2,055 of 157,535 results
2,041
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2,4-Dibromo-1-fluorobenzene, 98%, Thermo Scientific™

CAS: 1435-53-6 Molecular Formula: C6H3Br2F Molecular Weight (g/mol): 253.90 MDL Number: MFCD00000283 InChI Key: MKHDDTWHDFVYDQ-UHFFFAOYSA-N Synonym: 2,4-dibromofluorobenzene,1,3-dibromo-4-fluorobenzene,1-fluoro-2,4-dibromobenzene,benzene, 2,4-dibromo-1-fluoro,pubchem3446,acmc-209cqz,1,3-dibromo-5-fluoro,intermediates-zcf02097,ksc494g9j PubChem CID: 15034 IUPAC Name: 2,4-dibromo-1-fluorobenzene SMILES: FC1=CC=C(Br)C=C1Br

PubChem CID 15034
CAS 1435-53-6
Molecular Weight (g/mol) 253.90
MDL Number MFCD00000283
SMILES FC1=CC=C(Br)C=C1Br
Synonym 2,4-dibromofluorobenzene,1,3-dibromo-4-fluorobenzene,1-fluoro-2,4-dibromobenzene,benzene, 2,4-dibromo-1-fluoro,pubchem3446,acmc-209cqz,1,3-dibromo-5-fluoro,intermediates-zcf02097,ksc494g9j
IUPAC Name 2,4-dibromo-1-fluorobenzene
InChI Key MKHDDTWHDFVYDQ-UHFFFAOYSA-N
Molecular Formula C6H3Br2F
2,042
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4-Bromobenzhydrazide, 98+%

CAS: 5933-32-4 Molecular Formula: C7H7BrN2O Molecular Weight (g/mol): 215.05 MDL Number: MFCD00007602 InChI Key: UYIMBYKIIMYFPS-UHFFFAOYSA-N Synonym: 4-bromobenzhydrazide,p-bromobenzhydrazide,4-bromobenzoic hydrazide,p-bromobenzohydrazide,p-bromobenzoic acid hydrazide,4-bromobenzoylhydrazine,4-bromobenzoic acid hydrazide,benzoic acid, 4-bromo-, hydrazide,4-bromo-benzoic acid hydrazide,p-bromobenzoylhydrazine PubChem CID: 22219 IUPAC Name: 4-bromobenzohydrazide SMILES: C1=CC(=CC=C1C(=O)NN)Br

PubChem CID 22219
CAS 5933-32-4
Molecular Weight (g/mol) 215.05
MDL Number MFCD00007602
SMILES C1=CC(=CC=C1C(=O)NN)Br
Synonym 4-bromobenzhydrazide,p-bromobenzhydrazide,4-bromobenzoic hydrazide,p-bromobenzohydrazide,p-bromobenzoic acid hydrazide,4-bromobenzoylhydrazine,4-bromobenzoic acid hydrazide,benzoic acid, 4-bromo-, hydrazide,4-bromo-benzoic acid hydrazide,p-bromobenzoylhydrazine
IUPAC Name 4-bromobenzohydrazide
InChI Key UYIMBYKIIMYFPS-UHFFFAOYSA-N
Molecular Formula C7H7BrN2O
2,043
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2-Fluoro-3-(trifluoromethyl)benzoic acid, 98%

CAS: 115029-22-6 Molecular Formula: C8H3F4O2 Molecular Weight (g/mol): 207.10 MDL Number: MFCD00040980 InChI Key: XVEAMDNSCPPPCP-UHFFFAOYSA-M Synonym: 2-fluoro-3-trifluoromethyl benzoic acid,2-fluoro-3-trifluoromethyl benzoicacid,alpha,alpha,alpha,2-tetrafluoro-m-toluic acid,2-fluoro-3-trifluoromethyl-benzoic acid,benzoic acid, 2-fluoro-3-trifluoromethyl,2-fluoro-3-trifluoromethylbenzioc acid,pubchem2741,acmc-1boz3,ksc489q1l,rarechem al bo 0625 PubChem CID: 518002 IUPAC Name: 2-fluoro-3-(trifluoromethyl)benzoic acid SMILES: [O-]C(=O)C1=CC=CC(=C1F)C(F)(F)F

PubChem CID 518002
CAS 115029-22-6
Molecular Weight (g/mol) 207.10
MDL Number MFCD00040980
SMILES [O-]C(=O)C1=CC=CC(=C1F)C(F)(F)F
Synonym 2-fluoro-3-trifluoromethyl benzoic acid,2-fluoro-3-trifluoromethyl benzoicacid,alpha,alpha,alpha,2-tetrafluoro-m-toluic acid,2-fluoro-3-trifluoromethyl-benzoic acid,benzoic acid, 2-fluoro-3-trifluoromethyl,2-fluoro-3-trifluoromethylbenzioc acid,pubchem2741,acmc-1boz3,ksc489q1l,rarechem al bo 0625
IUPAC Name 2-fluoro-3-(trifluoromethyl)benzoic acid
InChI Key XVEAMDNSCPPPCP-UHFFFAOYSA-M
Molecular Formula C8H3F4O2
2,044
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1-(3-Fluorophenyl)-2-thiourea, 98%, Thermo Scientific™

CAS: 458-05-9 Molecular Formula: C7H7FN2S Molecular Weight (g/mol): 170.21 InChI Key: YKOBLHQALWQKTC-UHFFFAOYSA-N Synonym: 1-3-fluorophenyl-2-thiourea,1-3-fluorophenyl thiourea,3-fluorophenyl thiourea,n-3-fluorophenyl thiourea,amino 3-fluorophenyl amino methane-1-thione,acmc-20apbn,1-m-fluorophenyl thiourea,3-fluoro-phenyl-thiourea PubChem CID: 2734799 IUPAC Name: (3-fluorophenyl)thiourea SMILES: C1=CC(=CC(=C1)F)NC(=S)N

PubChem CID 2734799
CAS 458-05-9
Molecular Weight (g/mol) 170.21
SMILES C1=CC(=CC(=C1)F)NC(=S)N
Synonym 1-3-fluorophenyl-2-thiourea,1-3-fluorophenyl thiourea,3-fluorophenyl thiourea,n-3-fluorophenyl thiourea,amino 3-fluorophenyl amino methane-1-thione,acmc-20apbn,1-m-fluorophenyl thiourea,3-fluoro-phenyl-thiourea
IUPAC Name (3-fluorophenyl)thiourea
InChI Key YKOBLHQALWQKTC-UHFFFAOYSA-N
Molecular Formula C7H7FN2S
2,045
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2-Bromo-5-nitroanisole, 98%

CAS: 77337-82-7 Molecular Formula: C7H6BrNO3 Molecular Weight (g/mol): 232.03 MDL Number: MFCD00041250 InChI Key: NTKADLOYTKVXQN-UHFFFAOYSA-N Synonym: 2-bromo-5-nitroanisole,4-bromo-3-methoxynitrobenzene,2-bromo-5-nitroanisol,benzene, 1-bromo-2-methoxy-4-nitro,1-bromo-2-methoxy-4-nitro-benzene,zlchem 673,pubchem2536,2-bromo 5-nitro anisole,2-bromo-5-nitro-anisole,2-bromo-5-nitro anisole PubChem CID: 101293 IUPAC Name: 1-bromo-2-methoxy-4-nitrobenzene SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])Br

PubChem CID 101293
CAS 77337-82-7
Molecular Weight (g/mol) 232.03
MDL Number MFCD00041250
SMILES COC1=C(C=CC(=C1)[N+](=O)[O-])Br
Synonym 2-bromo-5-nitroanisole,4-bromo-3-methoxynitrobenzene,2-bromo-5-nitroanisol,benzene, 1-bromo-2-methoxy-4-nitro,1-bromo-2-methoxy-4-nitro-benzene,zlchem 673,pubchem2536,2-bromo 5-nitro anisole,2-bromo-5-nitro-anisole,2-bromo-5-nitro anisole
IUPAC Name 1-bromo-2-methoxy-4-nitrobenzene
InChI Key NTKADLOYTKVXQN-UHFFFAOYSA-N
Molecular Formula C7H6BrNO3
2,046
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4,5-Dimethoxy-2-nitrophenylacetic acid, 97%

CAS: 73357-18-3 Molecular Formula: C10H11NO6 Molecular Weight (g/mol): 241.199 MDL Number: MFCD00118466 InChI Key: WJPMJFUEMVXUCV-UHFFFAOYSA-N Synonym: 2-4,5-dimethoxy-2-nitrophenyl acetic acid,4,5-dimethoxy-2-nitrophenyl acetic acid,4,5-dimethoxy-2-nitrophenylacetic acid,4,5-dimethoxy-2-nitro-phenyl-acetic acid,4,5-dimethoxy-2-nitro-phenylacetic acid,benzeneacetic acid, 4,5-dimethoxy-2-nitro,maybridge1_002500,acmc-1bm2u,cbmicro_008990,cambridge id 5234450 PubChem CID: 270941 IUPAC Name: 2-(4,5-dimethoxy-2-nitrophenyl)acetic acid SMILES: COC1=C(C=C(C(=C1)CC(=O)O)[N+](=O)[O-])OC

PubChem CID 270941
CAS 73357-18-3
Molecular Weight (g/mol) 241.199
MDL Number MFCD00118466
SMILES COC1=C(C=C(C(=C1)CC(=O)O)[N+](=O)[O-])OC
Synonym 2-4,5-dimethoxy-2-nitrophenyl acetic acid,4,5-dimethoxy-2-nitrophenyl acetic acid,4,5-dimethoxy-2-nitrophenylacetic acid,4,5-dimethoxy-2-nitro-phenyl-acetic acid,4,5-dimethoxy-2-nitro-phenylacetic acid,benzeneacetic acid, 4,5-dimethoxy-2-nitro,maybridge1_002500,acmc-1bm2u,cbmicro_008990,cambridge id 5234450
IUPAC Name 2-(4,5-dimethoxy-2-nitrophenyl)acetic acid
InChI Key WJPMJFUEMVXUCV-UHFFFAOYSA-N
Molecular Formula C10H11NO6
2,047
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Dimethyl 5-hydroxyisophthalate, 98%

CAS: 13036-02-7 Molecular Formula: C10H10O5 Molecular Weight (g/mol): 210.19 MDL Number: MFCD00134367 InChI Key: DOSDTCPDBPRFHQ-UHFFFAOYSA-N PubChem CID: 83065 IUPAC Name: dimethyl 5-hydroxybenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC(O)=C1)C(=O)OC

PubChem CID 83065
CAS 13036-02-7
Molecular Weight (g/mol) 210.19
MDL Number MFCD00134367
SMILES COC(=O)C1=CC(=CC(O)=C1)C(=O)OC
IUPAC Name dimethyl 5-hydroxybenzene-1,3-dicarboxylate
InChI Key DOSDTCPDBPRFHQ-UHFFFAOYSA-N
Molecular Formula C10H10O5
2,048
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(+/-)-2-Phenylbutyric acid, 98%, Thermo Scientific Chemicals

CAS: 90-27-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00002667 InChI Key: OFJWFSNDPCAWDK-UHFFFAOYSA-N Synonym: 2-phenylbutyric acid,alpha-ethylphenylacetic acid,butyric acid, 2-phenyl,alpha-phenylbutyric acid,benzeneacetic acid, .alpha.-ethyl,alpha-phenyl butyric acid,2-phenylbutyricacid,benzeneacetic acid, alpha-ethyl,2-phenylburyric acid,alpha-toluic acid, alpha-ethyl PubChem CID: 7012 ChEBI: CHEBI:86545 IUPAC Name: 2-phenylbutanoic acid SMILES: CCC(C1=CC=CC=C1)C(=O)O

PubChem CID 7012
CAS 90-27-7
Molecular Weight (g/mol) 164.204
ChEBI CHEBI:86545
MDL Number MFCD00002667
SMILES CCC(C1=CC=CC=C1)C(=O)O
Synonym 2-phenylbutyric acid,alpha-ethylphenylacetic acid,butyric acid, 2-phenyl,alpha-phenylbutyric acid,benzeneacetic acid, .alpha.-ethyl,alpha-phenyl butyric acid,2-phenylbutyricacid,benzeneacetic acid, alpha-ethyl,2-phenylburyric acid,alpha-toluic acid, alpha-ethyl
IUPAC Name 2-phenylbutanoic acid
InChI Key OFJWFSNDPCAWDK-UHFFFAOYSA-N
Molecular Formula C10H12O2
2,049
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4-tert-Butylbenzeneboronic acid, 97%

CAS: 123324-71-0 Molecular Formula: C10H15BO2 Molecular Weight (g/mol): 178.04 MDL Number: MFCD01009697 InChI Key: MNJYZNVROSZZQC-UHFFFAOYSA-N Synonym: 4-t-butylphenylboronic acid,4-tert-butylbenzeneboronic acid,4-tert-butyl phenyl boronic acid,4-tert-butylphenyl boronic acid,4-tert-butyl phenylboronic acid,4-tert-butyl-phenyl boronic acid,4-tert-butylphenyl boranediol,p-t-butylphenylboronic acid,4-tertbutylphenylboronic acid PubChem CID: 2734320 IUPAC Name: (4-tert-butylphenyl)boronic acid SMILES: CC(C)(C)C1=CC=C(C=C1)B(O)O

PubChem CID 2734320
CAS 123324-71-0
Molecular Weight (g/mol) 178.04
MDL Number MFCD01009697
SMILES CC(C)(C)C1=CC=C(C=C1)B(O)O
Synonym 4-t-butylphenylboronic acid,4-tert-butylbenzeneboronic acid,4-tert-butyl phenyl boronic acid,4-tert-butylphenyl boronic acid,4-tert-butyl phenylboronic acid,4-tert-butyl-phenyl boronic acid,4-tert-butylphenyl boranediol,p-t-butylphenylboronic acid,4-tertbutylphenylboronic acid
IUPAC Name (4-tert-butylphenyl)boronic acid
InChI Key MNJYZNVROSZZQC-UHFFFAOYSA-N
Molecular Formula C10H15BO2
2,050
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4-Iodo-3-methylaniline, 98%

CAS: 4949-69-3 MDL Number: MFCD01569451 InChI Key: UISBOJCPTKUBIC-UHFFFAOYSA-N Synonym: 3-methyl-4-iodoaniline,2-iodo 5-aminotoluene,4-iodo-3-methyl aniline,acmc-1ak0z,benzenamine,4-iodo-3-methyl PubChem CID: 2734275 IUPAC Name: 4-iodo-3-methylaniline SMILES: CC1=C(C=CC(=C1)N)I

PubChem CID 2734275
CAS 4949-69-3
MDL Number MFCD01569451
SMILES CC1=C(C=CC(=C1)N)I
Synonym 3-methyl-4-iodoaniline,2-iodo 5-aminotoluene,4-iodo-3-methyl aniline,acmc-1ak0z,benzenamine,4-iodo-3-methyl
IUPAC Name 4-iodo-3-methylaniline
InChI Key UISBOJCPTKUBIC-UHFFFAOYSA-N
2,051
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2-Bromophenylboronic acid, 97%

CAS: 244205-40-1 Molecular Formula: C6H6BBrO2 Molecular Weight (g/mol): 200.83 MDL Number: MFCD01114672 InChI Key: PLVCYMZAEQRYHJ-UHFFFAOYSA-N Synonym: 2-bromophenyl boronic acid,o-bromophenylboronic acid,2-bromobenzeneboronic acid,2-bromophenylboronicacid,boronic acid, 2-bromophenyl,bromobenzeneboronic acid,pubchem13095,2-bromo phenyl boronic acid,2-bromo-phenyl boronic acid PubChem CID: 2773294 IUPAC Name: (2-bromophenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1Br

PubChem CID 2773294
CAS 244205-40-1
Molecular Weight (g/mol) 200.83
MDL Number MFCD01114672
SMILES OB(O)C1=CC=CC=C1Br
Synonym 2-bromophenyl boronic acid,o-bromophenylboronic acid,2-bromobenzeneboronic acid,2-bromophenylboronicacid,boronic acid, 2-bromophenyl,bromobenzeneboronic acid,pubchem13095,2-bromo phenyl boronic acid,2-bromo-phenyl boronic acid
IUPAC Name (2-bromophenyl)boronic acid
InChI Key PLVCYMZAEQRYHJ-UHFFFAOYSA-N
Molecular Formula C6H6BBrO2
2,052
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Tris(pentafluorophenyl)borane, 97%

CAS: 1109-15-5 Molecular Formula: C18BF15 Molecular Weight (g/mol): 511.98 MDL Number: MFCD00269813 InChI Key: OBAJXDYVZBHCGT-UHFFFAOYSA-N Synonym: tris pentafluorophenyl borane,tris perfluorophenyl borane,tris pentafluorophenyl boron,tris 2,3,4,5,6-pentafluorophenyl borane,unii-i3wu5e2578,tris pentafluorophenyl-borane,borane, tris pentafluorophenyl,borane, tris 2,3,4,5,6-pentafluorophenyl,perfluorotriphenylboron,zlchem 1272 PubChem CID: 582056 IUPAC Name: tris(2,3,4,5,6-pentafluorophenyl)borane SMILES: FC1=C(F)C(F)=C(B(C2=C(F)C(F)=C(F)C(F)=C2F)C2=C(F)C(F)=C(F)C(F)=C2F)C(F)=C1F

PubChem CID 582056
CAS 1109-15-5
Molecular Weight (g/mol) 511.98
MDL Number MFCD00269813
SMILES FC1=C(F)C(F)=C(B(C2=C(F)C(F)=C(F)C(F)=C2F)C2=C(F)C(F)=C(F)C(F)=C2F)C(F)=C1F
Synonym tris pentafluorophenyl borane,tris perfluorophenyl borane,tris pentafluorophenyl boron,tris 2,3,4,5,6-pentafluorophenyl borane,unii-i3wu5e2578,tris pentafluorophenyl-borane,borane, tris pentafluorophenyl,borane, tris 2,3,4,5,6-pentafluorophenyl,perfluorotriphenylboron,zlchem 1272
IUPAC Name tris(2,3,4,5,6-pentafluorophenyl)borane
InChI Key OBAJXDYVZBHCGT-UHFFFAOYSA-N
Molecular Formula C18BF15
2,053
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4-Fluorophenylacetonitrile, 98+%

CAS: 459-22-3 Molecular Formula: C8H6FN Molecular Weight (g/mol): 135.141 MDL Number: MFCD00001917 InChI Key: JHQBLYITVCBGTO-UHFFFAOYSA-N Synonym: 4-fluorophenylacetonitrile,4-fluorobenzyl cyanide,p-fluorobenzyl cyanide,benzeneacetonitrile, 4-fluoro,4-fluorobenzylcyanide,4-fluorobenzeneacetonitrile,p-fluorophenylacetonitrile,2-4-fluorophenyl acetonitrile,4-fluorobenzylnitrile,acetonitrile, p-fluorophenyl PubChem CID: 68016 IUPAC Name: 2-(4-fluorophenyl)acetonitrile SMILES: C1=CC(=CC=C1CC#N)F

PubChem CID 68016
CAS 459-22-3
Molecular Weight (g/mol) 135.141
MDL Number MFCD00001917
SMILES C1=CC(=CC=C1CC#N)F
Synonym 4-fluorophenylacetonitrile,4-fluorobenzyl cyanide,p-fluorobenzyl cyanide,benzeneacetonitrile, 4-fluoro,4-fluorobenzylcyanide,4-fluorobenzeneacetonitrile,p-fluorophenylacetonitrile,2-4-fluorophenyl acetonitrile,4-fluorobenzylnitrile,acetonitrile, p-fluorophenyl
IUPAC Name 2-(4-fluorophenyl)acetonitrile
InChI Key JHQBLYITVCBGTO-UHFFFAOYSA-N
Molecular Formula C8H6FN
2,054
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5-Methylsalicylic acid, 98%

CAS: 89-56-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002461 InChI Key: DLGBEGBHXSAQOC-UHFFFAOYSA-N Synonym: 5-methylsalicylic acid,p-cresotic acid,p-cresotinic acid,6-hydroxy-m-toluic acid,p-homosalicylic acid,2,5-cresotic acid,benzoic acid, 2-hydroxy-5-methyl,5-methyl-2-hydroxybenzoic acid,6-hydroxy-3-methylbenzoic acid,alpha-cresotinic acid PubChem CID: 6973 IUPAC Name: 2-hydroxy-5-methylbenzoic acid SMILES: CC1=CC(=C(C=C1)O)C(=O)O

PubChem CID 6973
CAS 89-56-5
Molecular Weight (g/mol) 152.149
MDL Number MFCD00002461
SMILES CC1=CC(=C(C=C1)O)C(=O)O
Synonym 5-methylsalicylic acid,p-cresotic acid,p-cresotinic acid,6-hydroxy-m-toluic acid,p-homosalicylic acid,2,5-cresotic acid,benzoic acid, 2-hydroxy-5-methyl,5-methyl-2-hydroxybenzoic acid,6-hydroxy-3-methylbenzoic acid,alpha-cresotinic acid
IUPAC Name 2-hydroxy-5-methylbenzoic acid
InChI Key DLGBEGBHXSAQOC-UHFFFAOYSA-N
Molecular Formula C8H8O3
2,055
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Methyl 3,4-dichlorobenzoate, 97%, Thermo Scientific Chemicals

CAS: 2905-68-2 Molecular Formula: C8H6Cl2O2 Molecular Weight (g/mol): 205.03 MDL Number: MFCD00018165 InChI Key: WICGATIORFSOJL-UHFFFAOYSA-N PubChem CID: 76193 IUPAC Name: methyl 3,4-dichlorobenzoate SMILES: COC(=O)C1=CC=C(Cl)C(Cl)=C1

PubChem CID 76193
CAS 2905-68-2
Molecular Weight (g/mol) 205.03
MDL Number MFCD00018165
SMILES COC(=O)C1=CC=C(Cl)C(Cl)=C1
IUPAC Name methyl 3,4-dichlorobenzoate
InChI Key WICGATIORFSOJL-UHFFFAOYSA-N
Molecular Formula C8H6Cl2O2