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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 (129,025)
Phenols (24,823)
Naphthalenes (6,307)
Phenol esters (4,717)
Unsubstituted Phenols (1,456)
Fluorenes (1,278)
Thiophenols (749)
Anthracenes (510)
Indanes (479)
Phenanthrenes and derivatives (359)
Tetralins (342)
Triphenyl compounds (280)
Pyrenes (269)
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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5,416 – 5,430 of 157,528 results
5,416
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3,5-Dibromoanisole, 97%, Thermo Scientific Chemicals

CAS: 74137-36-3 Molecular Formula: C7H6Br2O Molecular Weight (g/mol): 265.932 MDL Number: MFCD02258848 InChI Key: OQZAQBGJENJMHT-UHFFFAOYSA-N Synonym: 3,5-dibromoanisole,1,3-dibromo-5-methoxy-benzene,benzene, 1,3-dibromo-5-methoxy,pubchem2009,acmc-1bh5r,ksc493q1d,1.3-dibromo-5-methoxybenzene PubChem CID: 11021812 IUPAC Name: 1,3-dibromo-5-methoxybenzene SMILES: COC1=CC(=CC(=C1)Br)Br

PubChem CID 11021812
CAS 74137-36-3
Molecular Weight (g/mol) 265.932
MDL Number MFCD02258848
SMILES COC1=CC(=CC(=C1)Br)Br
Synonym 3,5-dibromoanisole,1,3-dibromo-5-methoxy-benzene,benzene, 1,3-dibromo-5-methoxy,pubchem2009,acmc-1bh5r,ksc493q1d,1.3-dibromo-5-methoxybenzene
IUPAC Name 1,3-dibromo-5-methoxybenzene
InChI Key OQZAQBGJENJMHT-UHFFFAOYSA-N
Molecular Formula C7H6Br2O
5,417
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4-Hydroxy-3-methoxybenzonitrile, 98%

CAS: 4421-08-3 MDL Number: MFCD00001820

CAS 4421-08-3
MDL Number MFCD00001820
5,418
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4-Methoxy-N-phenylbenzamide, 97%

CAS: 7465-88-5 Molecular Formula: C14H13NO2 Molecular Weight (g/mol): 227.26 MDL Number: MFCD00025810 InChI Key: XOJAJRFBOKCXPI-UHFFFAOYSA-N Synonym: 4-methoxy-n-phenyl-benzamide,n-phenyl-4-methoxybenzamide,anisanilid,p-anisanilide,4-methoxyphenyl-n-benzamide,benzamide, 4-methoxy-n-phenyl PubChem CID: 346037 IUPAC Name: 4-methoxy-N-phenylbenzamide SMILES: COC1=CC=C(C=C1)C(=O)NC1=CC=CC=C1

PubChem CID 346037
CAS 7465-88-5
Molecular Weight (g/mol) 227.26
MDL Number MFCD00025810
SMILES COC1=CC=C(C=C1)C(=O)NC1=CC=CC=C1
Synonym 4-methoxy-n-phenyl-benzamide,n-phenyl-4-methoxybenzamide,anisanilid,p-anisanilide,4-methoxyphenyl-n-benzamide,benzamide, 4-methoxy-n-phenyl
IUPAC Name 4-methoxy-N-phenylbenzamide
InChI Key XOJAJRFBOKCXPI-UHFFFAOYSA-N
Molecular Formula C14H13NO2
5,419

4-Bromoanisole, 98%

CAS: 104-92-7 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.04 MDL Number: MFCD00000097 InChI Key: QJPJQTDYNZXKQF-UHFFFAOYSA-N Synonym: 4-bromoanisole,p-bromoanisole,benzene, 1-bromo-4-methoxy,4-methoxybromobenzene,anisyl bromide,p-anisyl bromide,p-bromanisole,p-methoxybromobenzene,p-methoxyphenyl bromide,4-methoxyphenyl bromide PubChem CID: 7730 ChEBI: CHEBI:47257 IUPAC Name: 1-bromo-4-methoxybenzene SMILES: COC1=CC=C(C=C1)Br

PubChem CID 7730
CAS 104-92-7
Molecular Weight (g/mol) 187.04
ChEBI CHEBI:47257
MDL Number MFCD00000097
SMILES COC1=CC=C(C=C1)Br
Synonym 4-bromoanisole,p-bromoanisole,benzene, 1-bromo-4-methoxy,4-methoxybromobenzene,anisyl bromide,p-anisyl bromide,p-bromanisole,p-methoxybromobenzene,p-methoxyphenyl bromide,4-methoxyphenyl bromide
IUPAC Name 1-bromo-4-methoxybenzene
InChI Key QJPJQTDYNZXKQF-UHFFFAOYSA-N
Molecular Formula C7H7BrO
5,420
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4-(4-Methoxyphenyl)butyric acid, 98%

CAS: 4521-28-2 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00004404 InChI Key: LZHMNCJMXQKSBY-UHFFFAOYSA-N Synonym: 4-4-methoxyphenyl butyric acid,4-4-methoxyphenyl butanoic acid,benzenebutanoic acid, 4-methoxy,4-4-methoxyphenyl butyricacid,4-4-methoxyphenyl-1-butyric acid,p-methoxy-g-phenylbutyric acid,pubchem15207,4-methoxybenzenebutyric acid,4-p-methoxyphenylbutyric acid PubChem CID: 78280 IUPAC Name: 4-(4-methoxyphenyl)butanoic acid SMILES: COC1=CC=C(C=C1)CCCC(=O)O

PubChem CID 78280
CAS 4521-28-2
Molecular Weight (g/mol) 194.23
MDL Number MFCD00004404
SMILES COC1=CC=C(C=C1)CCCC(=O)O
Synonym 4-4-methoxyphenyl butyric acid,4-4-methoxyphenyl butanoic acid,benzenebutanoic acid, 4-methoxy,4-4-methoxyphenyl butyricacid,4-4-methoxyphenyl-1-butyric acid,p-methoxy-g-phenylbutyric acid,pubchem15207,4-methoxybenzenebutyric acid,4-p-methoxyphenylbutyric acid
IUPAC Name 4-(4-methoxyphenyl)butanoic acid
InChI Key LZHMNCJMXQKSBY-UHFFFAOYSA-N
Molecular Formula C11H14O3
5,421
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1,2,3-Trimethoxybenzene, 98+%

CAS: 634-36-6 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.192 MDL Number: MFCD00008358 InChI Key: CRUILBNAQILVHZ-UHFFFAOYSA-N Synonym: methylsyringol,pyrogallol trimethyl ether,trimethoxybenzene,benzene, 1,2,3-trimethoxy,tri-o-methylpyrogallol,benzene, trimethoxy,unii-mre1o894fg,1,2,3-trimethoxy benzene,mre1o894fg,3,4,5-trimethoxybenzene PubChem CID: 12462 ChEBI: CHEBI:86529 IUPAC Name: 1,2,3-trimethoxybenzene SMILES: COC1=C(C(=CC=C1)OC)OC

PubChem CID 12462
CAS 634-36-6
Molecular Weight (g/mol) 168.192
ChEBI CHEBI:86529
MDL Number MFCD00008358
SMILES COC1=C(C(=CC=C1)OC)OC
Synonym methylsyringol,pyrogallol trimethyl ether,trimethoxybenzene,benzene, 1,2,3-trimethoxy,tri-o-methylpyrogallol,benzene, trimethoxy,unii-mre1o894fg,1,2,3-trimethoxy benzene,mre1o894fg,3,4,5-trimethoxybenzene
IUPAC Name 1,2,3-trimethoxybenzene
InChI Key CRUILBNAQILVHZ-UHFFFAOYSA-N
Molecular Formula C9H12O3
5,422
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4-Fluoroanisole, 99%, Thermo Scientific Chemicals

CAS: 459-60-9 Molecular Formula: C7H7FO Molecular Weight (g/mol): 126.13 MDL Number: MFCD00000348 InChI Key: VIPWUFMFHBIKQI-UHFFFAOYSA-N Synonym: 4-fluoroanisole,p-fluoroanisole,benzene, 1-fluoro-4-methoxy,p-fluoromethoxybenzene,p-methoxyfluorobenzene,4-fluoroanisol,p-fluorophenyl methyl ether,anisole, p-fluoro,1-fluoro-4-methoxy-benzene,4-methoxyfluorobenzene PubChem CID: 9987 IUPAC Name: 1-fluoro-4-methoxybenzene SMILES: COC1=CC=C(C=C1)F

PubChem CID 9987
CAS 459-60-9
Molecular Weight (g/mol) 126.13
MDL Number MFCD00000348
SMILES COC1=CC=C(C=C1)F
Synonym 4-fluoroanisole,p-fluoroanisole,benzene, 1-fluoro-4-methoxy,p-fluoromethoxybenzene,p-methoxyfluorobenzene,4-fluoroanisol,p-fluorophenyl methyl ether,anisole, p-fluoro,1-fluoro-4-methoxy-benzene,4-methoxyfluorobenzene
IUPAC Name 1-fluoro-4-methoxybenzene
InChI Key VIPWUFMFHBIKQI-UHFFFAOYSA-N
Molecular Formula C7H7FO
5,423
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2,4,6-Trimethylstyrene, 95%, stab. with 500ppm 4-tert-butylcatechol

CAS: 769-25-5 Molecular Formula: C11H14 Molecular Weight (g/mol): 146.233 MDL Number: MFCD00008613 InChI Key: PDELBHCVXBSVPJ-UHFFFAOYSA-N Synonym: 2,4,6-trimethylstyrene,1,3,5-trimethyl-2-vinylbenzene,2-vinylmesitylene,mesitylethylene,vinylmesitylene,styrene, 2,4,6-trimethyl,unii-89fv7yq871,benzene, 2-ethenyl-1,3,5-trimethyl,2,6-trimethylstyrene,styrene,4,6-trimethyl PubChem CID: 13036 IUPAC Name: 2-ethenyl-1,3,5-trimethylbenzene SMILES: CC1=CC(=C(C(=C1)C)C=C)C

PubChem CID 13036
CAS 769-25-5
Molecular Weight (g/mol) 146.233
MDL Number MFCD00008613
SMILES CC1=CC(=C(C(=C1)C)C=C)C
Synonym 2,4,6-trimethylstyrene,1,3,5-trimethyl-2-vinylbenzene,2-vinylmesitylene,mesitylethylene,vinylmesitylene,styrene, 2,4,6-trimethyl,unii-89fv7yq871,benzene, 2-ethenyl-1,3,5-trimethyl,2,6-trimethylstyrene,styrene,4,6-trimethyl
IUPAC Name 2-ethenyl-1,3,5-trimethylbenzene
InChI Key PDELBHCVXBSVPJ-UHFFFAOYSA-N
Molecular Formula C11H14
5,424
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4-Fluoro-2-(trifluoromethyl)benzonitrile, 98+%

CAS: 194853-86-6 Molecular Formula: C8H3F4N Molecular Weight (g/mol): 189.11 MDL Number: MFCD00061283 InChI Key: LCCPQUYXMFXCAC-UHFFFAOYSA-N Synonym: 4-fluoro-2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-fluorobenzonitrile,4-fluoro-2-trifluoromethyl-benzonitrile,2-cyano-5-fluorobenzotrifluoride,alpha,alpha,alpha,4-tetrafluoro-o-tolunitrile,benzonitrile, 4-fluoro-2-trifluoromethyl,4-fluoro-2-trifluoromethyl benzenecarbonitrile,pubchem4802 PubChem CID: 605085 IUPAC Name: 4-fluoro-2-(trifluoromethyl)benzonitrile SMILES: FC1=CC=C(C#N)C(=C1)C(F)(F)F

PubChem CID 605085
CAS 194853-86-6
Molecular Weight (g/mol) 189.11
MDL Number MFCD00061283
SMILES FC1=CC=C(C#N)C(=C1)C(F)(F)F
Synonym 4-fluoro-2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-fluorobenzonitrile,4-fluoro-2-trifluoromethyl-benzonitrile,2-cyano-5-fluorobenzotrifluoride,alpha,alpha,alpha,4-tetrafluoro-o-tolunitrile,benzonitrile, 4-fluoro-2-trifluoromethyl,4-fluoro-2-trifluoromethyl benzenecarbonitrile,pubchem4802
IUPAC Name 4-fluoro-2-(trifluoromethyl)benzonitrile
InChI Key LCCPQUYXMFXCAC-UHFFFAOYSA-N
Molecular Formula C8H3F4N
5,425
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3,5-Di-tert-butyl-4-hydroxyphenylacetic acid, 98%

CAS: 1611-03-6 Molecular Formula: C16H24O3 Molecular Weight (g/mol): 264.365 MDL Number: MFCD00156138 InChI Key: QLMGIWHWWWXXME-UHFFFAOYSA-N Synonym: 3,5-di-tert-butyl-4-hydroxyphenylacetic acid,3,5-di-tert-butyl-4-hydroxyphenyl acetic acid,2-3,5-di tert-butyl-4-hydroxyphenyl acetic acid,2-3,5-di-tert-butyl-4-hydroxyphenyl acetic acid,benzeneacetic acid,3,5-bis 1,1-dimethylethyl-4-hydroxy,acmc-1bvft,4-hydroxy-3,5-di-t-butylphenylacetic acid,3,5-di-t-butyl-4-hydroxyphenyl-acetic acid,4-hydroxy-3,5-di-t-butyl-phenylacetic acid,3,5-di-tert-butyl-4-hydroxybenzeneacetic acid PubChem CID: 2775110 IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetic acid SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)O

PubChem CID 2775110
CAS 1611-03-6
Molecular Weight (g/mol) 264.365
MDL Number MFCD00156138
SMILES CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)O
Synonym 3,5-di-tert-butyl-4-hydroxyphenylacetic acid,3,5-di-tert-butyl-4-hydroxyphenyl acetic acid,2-3,5-di tert-butyl-4-hydroxyphenyl acetic acid,2-3,5-di-tert-butyl-4-hydroxyphenyl acetic acid,benzeneacetic acid,3,5-bis 1,1-dimethylethyl-4-hydroxy,acmc-1bvft,4-hydroxy-3,5-di-t-butylphenylacetic acid,3,5-di-t-butyl-4-hydroxyphenyl-acetic acid,4-hydroxy-3,5-di-t-butyl-phenylacetic acid,3,5-di-tert-butyl-4-hydroxybenzeneacetic acid
IUPAC Name 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetic acid
InChI Key QLMGIWHWWWXXME-UHFFFAOYSA-N
Molecular Formula C16H24O3
5,426
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3-Bromo-4-hydroxybenzoic acid, 97%

CAS: 14348-41-5 Molecular Formula: C7H5BrO3 Molecular Weight (g/mol): 217.02 MDL Number: MFCD00017547 InChI Key: XMEQDAIDOBVHEK-UHFFFAOYSA-N Synonym: 3-bromo-4-hydroxy-benzoic acid,benzoic acid, 3-bromo-4-hydroxy,acmc-20aix6,3-bromo-4-hydroxybenzoicacid,3-bromo-4-hydroxybenzoic acid,3-bromo-4-hydroxybenzoicacidhydrate,3-bromo-4-hydroxybenzoic acid 10g PubChem CID: 84368 IUPAC Name: 3-bromo-4-hydroxybenzoic acid SMILES: OC(=O)C1=CC=C(O)C(Br)=C1

PubChem CID 84368
CAS 14348-41-5
Molecular Weight (g/mol) 217.02
MDL Number MFCD00017547
SMILES OC(=O)C1=CC=C(O)C(Br)=C1
Synonym 3-bromo-4-hydroxy-benzoic acid,benzoic acid, 3-bromo-4-hydroxy,acmc-20aix6,3-bromo-4-hydroxybenzoicacid,3-bromo-4-hydroxybenzoic acid,3-bromo-4-hydroxybenzoicacidhydrate,3-bromo-4-hydroxybenzoic acid 10g
IUPAC Name 3-bromo-4-hydroxybenzoic acid
InChI Key XMEQDAIDOBVHEK-UHFFFAOYSA-N
Molecular Formula C7H5BrO3
5,427
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3-(Trifluoromethyl)benzeneboronic acid, 98%

CAS: 1423-26-3 Molecular Formula: C7H6BF3O2 Molecular Weight (g/mol): 189.93 MDL Number: MFCD00151854 InChI Key: WOAORAPRPVIATR-UHFFFAOYSA-N Synonym: 3-trifluoromethyl phenylboronic acid,3-trifluoromethylphenylboronic acid,3-trifluoromethyl phenyl boronic acid,3-trifluoromethyl benzeneboronic acid,m-trifluoromethyl phenylboronic acid,3-trifluoromethylboronic acid,3-trifluoromethyl phenyl boranediol,3-boronobenzotrifluoride,3-trifluoromethyl benzeneboronic acid/anhydride PubChem CID: 2734388 IUPAC Name: [3-(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=CC=CC(=C1)C(F)(F)F

PubChem CID 2734388
CAS 1423-26-3
Molecular Weight (g/mol) 189.93
MDL Number MFCD00151854
SMILES OB(O)C1=CC=CC(=C1)C(F)(F)F
Synonym 3-trifluoromethyl phenylboronic acid,3-trifluoromethylphenylboronic acid,3-trifluoromethyl phenyl boronic acid,3-trifluoromethyl benzeneboronic acid,m-trifluoromethyl phenylboronic acid,3-trifluoromethylboronic acid,3-trifluoromethyl phenyl boranediol,3-boronobenzotrifluoride,3-trifluoromethyl benzeneboronic acid/anhydride
IUPAC Name [3-(trifluoromethyl)phenyl]boronic acid
InChI Key WOAORAPRPVIATR-UHFFFAOYSA-N
Molecular Formula C7H6BF3O2
5,428
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Calix[6]arene, 98%

CAS: 96107-95-8 Molecular Formula: C42H36O6 Molecular Weight (g/mol): 636.744 MDL Number: MFCD00143083 InChI Key: JLSWUKWFQCVKCL-UHFFFAOYSA-N Synonym: calix 6 arene,hexahydroxycalix 6 arene PubChem CID: 2724885 SMILES: C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=CC=CC(=C5O)CC6=CC=CC(=C6O)CC7=CC=CC1=C7O)O)O)O

PubChem CID 2724885
CAS 96107-95-8
Molecular Weight (g/mol) 636.744
MDL Number MFCD00143083
SMILES C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=CC=CC(=C5O)CC6=CC=CC(=C6O)CC7=CC=CC1=C7O)O)O)O
Synonym calix 6 arene,hexahydroxycalix 6 arene
InChI Key JLSWUKWFQCVKCL-UHFFFAOYSA-N
Molecular Formula C42H36O6
5,429
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2-Chloro-4-nitrophenol, 97%

CAS: 619-08-9 Molecular Formula: C6H4ClNO3 Molecular Weight (g/mol): 173.552 MDL Number: MFCD00043910 InChI Key: BOFRXDMCQRTGII-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrophenol,nitrofungin,phenol, 2-chloro-4-nitro,2-chloro-4-nitro phenol,nitrofurgin,phenol, chloro-4-nitro,unii-y2v03m9ul8,2-chloro-4-nitro-phenol,2-chloro-4nitrophenol,pubchem18908 PubChem CID: 12074 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)O

PubChem CID 12074
CAS 619-08-9
Molecular Weight (g/mol) 173.552
MDL Number MFCD00043910
SMILES C1=CC(=C(C=C1[N+](=O)[O-])Cl)O
Synonym 2-chloro-4-nitrophenol,nitrofungin,phenol, 2-chloro-4-nitro,2-chloro-4-nitro phenol,nitrofurgin,phenol, chloro-4-nitro,unii-y2v03m9ul8,2-chloro-4-nitro-phenol,2-chloro-4nitrophenol,pubchem18908
InChI Key BOFRXDMCQRTGII-UHFFFAOYSA-N
Molecular Formula C6H4ClNO3
5,430
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3-Bromo-2-fluorobenzoic acid, 97%, Thermo Scientific Chemicals

CAS: 161957-56-8 Molecular Formula: C7H4BrFO2 Molecular Weight (g/mol): 219.009 MDL Number: MFCD00665763 InChI Key: UVKURTLVTLRSSM-UHFFFAOYSA-N Synonym: 3-bromo-2-fluoro-benzoic acid,3-bromo-2-fluorobenzoicacid,2-fluoro-3-bromobenzoic acid,benzoic acid, 3-bromo-2-fluoro,3-bromo-2-fluoro benzoic acid,buttpark 14\01-30,3-bromo-2-fluorobenzenecarboxylic acid,pubchem1318,acmc-209dnk,intermediates-zcf02220 PubChem CID: 2736313 IUPAC Name: 3-bromo-2-fluorobenzoic acid SMILES: C1=CC(=C(C(=C1)Br)F)C(=O)O

PubChem CID 2736313
CAS 161957-56-8
Molecular Weight (g/mol) 219.009
MDL Number MFCD00665763
SMILES C1=CC(=C(C(=C1)Br)F)C(=O)O
Synonym 3-bromo-2-fluoro-benzoic acid,3-bromo-2-fluorobenzoicacid,2-fluoro-3-bromobenzoic acid,benzoic acid, 3-bromo-2-fluoro,3-bromo-2-fluoro benzoic acid,buttpark 14\01-30,3-bromo-2-fluorobenzenecarboxylic acid,pubchem1318,acmc-209dnk,intermediates-zcf02220
IUPAC Name 3-bromo-2-fluorobenzoic acid
InChI Key UVKURTLVTLRSSM-UHFFFAOYSA-N
Molecular Formula C7H4BrFO2