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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 (67,766)
Phenols (13,514)
Naphthalenes (5,075)
Fluorenes (1,235)
Unsubstituted Phenols (1,166)
Thiophenols (617)
Phenol esters (564)
Anthracenes (413)
Phenanthrenes and derivatives (327)
Tetralins (327)
Indanes (313)
Triphenyl compounds (277)
Pyrenes (229)
Dibenzocycloheptenes (62)
Naphthacenes (36)
Ellagic acids and derivatives (33)
Pentacenes (19)
Pentacenequinones (16)
Acenaphthylenes (15)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (6)

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2,161 – 2,175 of 78,691 results
2,161

1,4-Di-tert-butylbenzene, 98%

CAS: 1012-72-2 Molecular Formula: C14H22 Molecular Weight (g/mol): 190.33 MDL Number: MFCD00008836 InChI Key: OOWNNCMFKFBNOF-UHFFFAOYSA-N Synonym: 1,4-di-tert-butylbenzene,p-di-tert-butylbenzene,benzene, p-di-tert-butyl,benzene, 1,4-bis 1,1-dimethylethyl,unii-55ptx4kh71,bis 1,1-dimethylethyl benzene,benzene, bis 1,1-dimethylethyl,1,4-di-t-butylbenzene,acmc-2097up,1,4-bis tert-butyl benzene PubChem CID: 13895 IUPAC Name: 1,4-ditert-butylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)C(C)(C)C

PubChem CID 13895
CAS 1012-72-2
Molecular Weight (g/mol) 190.33
MDL Number MFCD00008836
SMILES CC(C)(C)C1=CC=C(C=C1)C(C)(C)C
Synonym 1,4-di-tert-butylbenzene,p-di-tert-butylbenzene,benzene, p-di-tert-butyl,benzene, 1,4-bis 1,1-dimethylethyl,unii-55ptx4kh71,bis 1,1-dimethylethyl benzene,benzene, bis 1,1-dimethylethyl,1,4-di-t-butylbenzene,acmc-2097up,1,4-bis tert-butyl benzene
IUPAC Name 1,4-ditert-butylbenzene
InChI Key OOWNNCMFKFBNOF-UHFFFAOYSA-N
Molecular Formula C14H22
2,162

4-Hydroxy-3-methoxybenzonitrile, 98%

CAS: 4421-08-3 MDL Number: MFCD00001820

CAS 4421-08-3
MDL Number MFCD00001820
2,163

4-Nitrobenzophenone, 99%

CAS: 1144-74-7 Molecular Formula: C13H9NO3 Molecular Weight (g/mol): 227.22 MDL Number: MFCD00007354 InChI Key: ZYMCBJWUWHHVRX-UHFFFAOYSA-N Synonym: 4-nitrobenzophenone,p-nitrobenzophenone,4-nitrophenyl phenyl methanone,benzophenone, 4-nitro,methanone, 4-nitrophenyl phenyl,4-nitrophenyl phenyl ketone,4-nitrophenyl-phenylmethanone,4-nitrophenyl-phenyl-methanone,4-nitro-benzophenone PubChem CID: 70839 IUPAC Name: (4-nitrophenyl)-phenylmethanone SMILES: [O-][N+](=O)C1=CC=C(C=C1)C(=O)C1=CC=CC=C1

PubChem CID 70839
CAS 1144-74-7
Molecular Weight (g/mol) 227.22
MDL Number MFCD00007354
SMILES [O-][N+](=O)C1=CC=C(C=C1)C(=O)C1=CC=CC=C1
Synonym 4-nitrobenzophenone,p-nitrobenzophenone,4-nitrophenyl phenyl methanone,benzophenone, 4-nitro,methanone, 4-nitrophenyl phenyl,4-nitrophenyl phenyl ketone,4-nitrophenyl-phenylmethanone,4-nitrophenyl-phenyl-methanone,4-nitro-benzophenone
IUPAC Name (4-nitrophenyl)-phenylmethanone
InChI Key ZYMCBJWUWHHVRX-UHFFFAOYSA-N
Molecular Formula C13H9NO3
2,164

N-Fmoc-L-valine, 98%

CAS: 68858-20-8 Molecular Formula: C20H21NO4 Molecular Weight (g/mol): 339.39 MDL Number: MFCD00037124 InChI Key: UGNIYGNGCNXHTR-SFHVURJKSA-N Synonym: fmoc-l-valine,fmoc-val-oh,fmoc-l-val-oh,n-fmoc-l-valine,n-9h-fluoren-9-ylmethoxy carbonyl-l-valine,n-9-fluorenylmethoxycarbonyl-l-valine,fmoc-valine,s-2-9h-fluoren-9-yl methoxy carbonyl amino-3-methylbutanoic acid,n-alpha-fmoc-l-valine,s-n-9h-fluoren-9-ylmethoxy carbonyl valine PubChem CID: 688217 SMILES: CC(C)[C@H](NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(O)=O

PubChem CID 688217
CAS 68858-20-8
Molecular Weight (g/mol) 339.39
MDL Number MFCD00037124
SMILES CC(C)[C@H](NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(O)=O
Synonym fmoc-l-valine,fmoc-val-oh,fmoc-l-val-oh,n-fmoc-l-valine,n-9h-fluoren-9-ylmethoxy carbonyl-l-valine,n-9-fluorenylmethoxycarbonyl-l-valine,fmoc-valine,s-2-9h-fluoren-9-yl methoxy carbonyl amino-3-methylbutanoic acid,n-alpha-fmoc-l-valine,s-n-9h-fluoren-9-ylmethoxy carbonyl valine
InChI Key UGNIYGNGCNXHTR-SFHVURJKSA-N
Molecular Formula C20H21NO4
2,165

8-Aminonaphthalene-2-sulfonic acid, 95%

CAS: 119-28-8 Molecular Formula: C10H9NO3S Molecular Weight (g/mol): 223.246 MDL Number: MFCD00004032 InChI Key: QEZZCWMQXHXAFG-UHFFFAOYSA-N Synonym: 8-amino-2-naphthalenesulfonic acid,1,7-cleve's acid,1-naphthylamine-7-sulfonic acid,2-naphthalenesulfonic acid, 8-amino,cleve's theta-acid,1-amino-7-sulfonaphthalene,1-aminonaphthalene-7-sulfonic acid,8-naphthylamine-2-sulfonic acid,1-amino-7-naphthalenesulfonic acid,1-amino-naphthalene-7-sulphonic acid PubChem CID: 8386 IUPAC Name: 8-aminonaphthalene-2-sulfonic acid SMILES: C1=CC2=C(C=C(C=C2)S(=O)(=O)O)C(=C1)N

PubChem CID 8386
CAS 119-28-8
Molecular Weight (g/mol) 223.246
MDL Number MFCD00004032
SMILES C1=CC2=C(C=C(C=C2)S(=O)(=O)O)C(=C1)N
Synonym 8-amino-2-naphthalenesulfonic acid,1,7-cleve's acid,1-naphthylamine-7-sulfonic acid,2-naphthalenesulfonic acid, 8-amino,cleve's theta-acid,1-amino-7-sulfonaphthalene,1-aminonaphthalene-7-sulfonic acid,8-naphthylamine-2-sulfonic acid,1-amino-7-naphthalenesulfonic acid,1-amino-naphthalene-7-sulphonic acid
IUPAC Name 8-aminonaphthalene-2-sulfonic acid
InChI Key QEZZCWMQXHXAFG-UHFFFAOYSA-N
Molecular Formula C10H9NO3S
2,166

trans-3-Chloro-beta-nitrostyrene, 97%

CAS: 37888-03-2 Molecular Formula: C8H6ClNO2 Molecular Weight (g/mol): 183.591 MDL Number: MFCD00175518 InChI Key: GXQRAWTWDNHGBS-SNAWJCMRSA-N Synonym: 1-chloro-3-2-nitrovinyl benzene,e-1-chloro-3-2-nitrovinyl benzene,1-3-chlorophenyl-2-nitroethene,trans-3-chloro-beta-nitrostyrene,beta-nitro-3-chlorostyrene,trans-1-chloro-3-2-nitro-vinyl-benzene,1-chloro-3-e-2-nitrovinyl benzene,trans-1-3-chlorophenyl-2-nitroethene,cyto9f2,trans-3-chloro-,a-nitrostyrene PubChem CID: 5702314 IUPAC Name: 1-chloro-3-[(E)-2-nitroethenyl]benzene SMILES: C1=CC(=CC(=C1)Cl)C=C[N+](=O)[O-]

PubChem CID 5702314
CAS 37888-03-2
Molecular Weight (g/mol) 183.591
MDL Number MFCD00175518
SMILES C1=CC(=CC(=C1)Cl)C=C[N+](=O)[O-]
Synonym 1-chloro-3-2-nitrovinyl benzene,e-1-chloro-3-2-nitrovinyl benzene,1-3-chlorophenyl-2-nitroethene,trans-3-chloro-beta-nitrostyrene,beta-nitro-3-chlorostyrene,trans-1-chloro-3-2-nitro-vinyl-benzene,1-chloro-3-e-2-nitrovinyl benzene,trans-1-3-chlorophenyl-2-nitroethene,cyto9f2,trans-3-chloro-,a-nitrostyrene
IUPAC Name 1-chloro-3-[(E)-2-nitroethenyl]benzene
InChI Key GXQRAWTWDNHGBS-SNAWJCMRSA-N
Molecular Formula C8H6ClNO2
2,167

3,3'-Diaminobenzophenone, 90%

CAS: 611-79-0 Molecular Formula: C13H12N2O Molecular Weight (g/mol): 212.25 MDL Number: MFCD00014774 InChI Key: TUQQUUXMCKXGDI-UHFFFAOYSA-N Synonym: 3,3'-diaminobenzophenone,bis 3-aminophenyl methanone,methanone, bis 3-aminophenyl,di3-aminophenyl ketone,3,3'-diaminodiphenyl ketone,pubchem3381,acmc-1awhc,cbmicro_014188,3,3'-diamino benzophenone,3-3-aminobenzoyl aniline PubChem CID: 69145 IUPAC Name: bis(3-aminophenyl)methanone SMILES: NC1=CC(=CC=C1)C(=O)C1=CC(N)=CC=C1

PubChem CID 69145
CAS 611-79-0
Molecular Weight (g/mol) 212.25
MDL Number MFCD00014774
SMILES NC1=CC(=CC=C1)C(=O)C1=CC(N)=CC=C1
Synonym 3,3'-diaminobenzophenone,bis 3-aminophenyl methanone,methanone, bis 3-aminophenyl,di3-aminophenyl ketone,3,3'-diaminodiphenyl ketone,pubchem3381,acmc-1awhc,cbmicro_014188,3,3'-diamino benzophenone,3-3-aminobenzoyl aniline
IUPAC Name bis(3-aminophenyl)methanone
InChI Key TUQQUUXMCKXGDI-UHFFFAOYSA-N
Molecular Formula C13H12N2O
2,168

3-Bromobenzotrifluoride, 98+%

CAS: 401-78-5 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.008 MDL Number: MFCD00000380 InChI Key: NNMBNYHMJRJUBC-UHFFFAOYSA-N Synonym: 3-bromobenzotrifluoride,1-bromo-3-trifluoromethyl benzene,m-bromobenzotrifluoride,3-trifluoromethyl bromobenzene,benzene, 1-bromo-3-trifluoromethyl,3-brombenzotrifluorid,3-bromotrifluoromethylbenzene,3-bromobenzyltrifluoride,3-trifluoromethyl phenyl bromide,m-trifluoromethyl bromobenzene PubChem CID: 9817 IUPAC Name: 1-bromo-3-(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)Br)C(F)(F)F

PubChem CID 9817
CAS 401-78-5
Molecular Weight (g/mol) 225.008
MDL Number MFCD00000380
SMILES C1=CC(=CC(=C1)Br)C(F)(F)F
Synonym 3-bromobenzotrifluoride,1-bromo-3-trifluoromethyl benzene,m-bromobenzotrifluoride,3-trifluoromethyl bromobenzene,benzene, 1-bromo-3-trifluoromethyl,3-brombenzotrifluorid,3-bromotrifluoromethylbenzene,3-bromobenzyltrifluoride,3-trifluoromethyl phenyl bromide,m-trifluoromethyl bromobenzene
IUPAC Name 1-bromo-3-(trifluoromethyl)benzene
InChI Key NNMBNYHMJRJUBC-UHFFFAOYSA-N
Molecular Formula C7H4BrF3
2,169

Isoprenaline hydrochloride, 98%, Thermo Scientific Chemicals

CAS: 51-30-9 Molecular Formula: C11H18ClNO3 Molecular Weight (g/mol): 247.72 MDL Number: MFCD00012603,MFCD00064548 InChI Key: IROWCYIEJAOFOW-UHFFFAOYNA-N Synonym: isoprenaline hydrochloride,isoproterenol hydrochloride,isuprel,euspiran,isoprenaline hcl,isoproterenol hcl,aerolone,aerotrol,izadrin,vapo-iso PubChem CID: 5807 IUPAC Name: 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;hydrochloride SMILES: [H+].[Cl-].CC(C)NCC(O)C1=CC=C(O)C(O)=C1

PubChem CID 5807
CAS 51-30-9
Molecular Weight (g/mol) 247.72
MDL Number MFCD00012603,MFCD00064548
SMILES [H+].[Cl-].CC(C)NCC(O)C1=CC=C(O)C(O)=C1
Synonym isoprenaline hydrochloride,isoproterenol hydrochloride,isuprel,euspiran,isoprenaline hcl,isoproterenol hcl,aerolone,aerotrol,izadrin,vapo-iso
IUPAC Name 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;hydrochloride
InChI Key IROWCYIEJAOFOW-UHFFFAOYNA-N
Molecular Formula C11H18ClNO3
2,170

Methyl benzoylformate, 99%

CAS: 15206-55-0 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00008443 InChI Key: YLHXLHGIAMFFBU-UHFFFAOYSA-N Synonym: methyl benzoylformate,methyl phenylglyoxylate,methyl oxophenylacetate,methyl phenylglyoxalate,benzoylformic acid methyl ester,methylbenzoylformate,phenylglyoxylic acid methyl ester,phenylglyoxylic acid, methyl ester,benzeneacetic acid, .alpha.-oxo-, methyl ester,unii-23f2045stg PubChem CID: 84835 ChEBI: CHEBI:84256 IUPAC Name: methyl 2-oxo-2-phenylacetate SMILES: COC(=O)C(=O)C1=CC=CC=C1

PubChem CID 84835
CAS 15206-55-0
Molecular Weight (g/mol) 164.16
ChEBI CHEBI:84256
MDL Number MFCD00008443
SMILES COC(=O)C(=O)C1=CC=CC=C1
Synonym methyl benzoylformate,methyl phenylglyoxylate,methyl oxophenylacetate,methyl phenylglyoxalate,benzoylformic acid methyl ester,methylbenzoylformate,phenylglyoxylic acid methyl ester,phenylglyoxylic acid, methyl ester,benzeneacetic acid, .alpha.-oxo-, methyl ester,unii-23f2045stg
IUPAC Name methyl 2-oxo-2-phenylacetate
InChI Key YLHXLHGIAMFFBU-UHFFFAOYSA-N
Molecular Formula C9H8O3
2,171

Ethyl 4-hydroxybenzoate, 99%

CAS: 120-47-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00002353 InChI Key: NUVBSKCKDOMJSU-UHFFFAOYSA-N Synonym: ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e PubChem CID: 8434 ChEBI: CHEBI:86616 IUPAC Name: ethyl 4-hydroxybenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)O

PubChem CID 8434
CAS 120-47-8
Molecular Weight (g/mol) 166.18
ChEBI CHEBI:86616
MDL Number MFCD00002353
SMILES CCOC(=O)C1=CC=C(C=C1)O
Synonym ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e
IUPAC Name ethyl 4-hydroxybenzoate
InChI Key NUVBSKCKDOMJSU-UHFFFAOYSA-N
Molecular Formula C9H10O3
2,172

Dinitrodurene, 97%, Thermo Scientific™

CAS: 5465-13-4 InChI Key: AEPQXGFMAZTUEA-UHFFFAOYSA-N Synonym: 1,2,4,5-tetramethyl-3,6-dinitro-benzene,dinitrotrodurene,3,2,4,5-tetramethylbenzene,2,3,5,6-tetramethyl-p-dinitrobenzene,1,4,5-tetramethyl-3,6-dinitrobenzene,benzene,2,4,5-tetramethyl-3,6-dinitro,1,4-dinitro-2,3,5,6-tetramethylbenzene 97+% PubChem CID: 79593 IUPAC Name: 1,2,4,5-tetramethyl-3,6-dinitrobenzene SMILES: CC1=C(C(=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-])C

PubChem CID 79593
CAS 5465-13-4
SMILES CC1=C(C(=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-])C
Synonym 1,2,4,5-tetramethyl-3,6-dinitro-benzene,dinitrotrodurene,3,2,4,5-tetramethylbenzene,2,3,5,6-tetramethyl-p-dinitrobenzene,1,4,5-tetramethyl-3,6-dinitrobenzene,benzene,2,4,5-tetramethyl-3,6-dinitro,1,4-dinitro-2,3,5,6-tetramethylbenzene 97+%
IUPAC Name 1,2,4,5-tetramethyl-3,6-dinitrobenzene
InChI Key AEPQXGFMAZTUEA-UHFFFAOYSA-N
2,173

4-n-Propylbenzeneboronic acid, 98%, Thermo Scientific Chemicals

CAS: 134150-01-9 Molecular Formula: C9H13BO2 Molecular Weight (g/mol): 164.01 MDL Number: MFCD00859261 InChI Key: WLCGYIWOKVWFLB-UHFFFAOYSA-N Synonym: 4-propylphenyl boronic acid,4-propyl benzeneboronic acid,4-propylphenylboronicacid,4-n-propylphenylboronic acid,4-n-propylbenzeneboronic acid,boronic acid, 4-propylphenyl,pubchem7892,acmc-209btz,4-propylphenyboronic acid PubChem CID: 4100861 IUPAC Name: (4-propylphenyl)boronic acid SMILES: CCCC1=CC=C(C=C1)B(O)O

PubChem CID 4100861
CAS 134150-01-9
Molecular Weight (g/mol) 164.01
MDL Number MFCD00859261
SMILES CCCC1=CC=C(C=C1)B(O)O
Synonym 4-propylphenyl boronic acid,4-propyl benzeneboronic acid,4-propylphenylboronicacid,4-n-propylphenylboronic acid,4-n-propylbenzeneboronic acid,boronic acid, 4-propylphenyl,pubchem7892,acmc-209btz,4-propylphenyboronic acid
IUPAC Name (4-propylphenyl)boronic acid
InChI Key WLCGYIWOKVWFLB-UHFFFAOYSA-N
Molecular Formula C9H13BO2
2,174

o-Xylylene dibromide, 97%

CAS: 91-13-4 Molecular Formula: C8H8Br2 Molecular Weight (g/mol): 263.96 MDL Number: MFCD00000175 InChI Key: KGKAYWMGPDWLQZ-UHFFFAOYSA-N Synonym: 1,2-bis bromomethyl benzene,o-xylylene dibromide,alpha,alpha'-dibromo-o-xylene,benzene, 1,2-bis bromomethyl,o-bis bromomethyl benzene,o-xylylene bromide,1,2-dibenzyl bromide,alpha,alpha'-dibromo-o-xylol,a,a'-dibromo-o-xylene,ccris 1776 PubChem CID: 66665 IUPAC Name: 1,2-bis(bromomethyl)benzene SMILES: C1=CC=C(C(=C1)CBr)CBr

PubChem CID 66665
CAS 91-13-4
Molecular Weight (g/mol) 263.96
MDL Number MFCD00000175
SMILES C1=CC=C(C(=C1)CBr)CBr
Synonym 1,2-bis bromomethyl benzene,o-xylylene dibromide,alpha,alpha'-dibromo-o-xylene,benzene, 1,2-bis bromomethyl,o-bis bromomethyl benzene,o-xylylene bromide,1,2-dibenzyl bromide,alpha,alpha'-dibromo-o-xylol,a,a'-dibromo-o-xylene,ccris 1776
IUPAC Name 1,2-bis(bromomethyl)benzene
InChI Key KGKAYWMGPDWLQZ-UHFFFAOYSA-N
Molecular Formula C8H8Br2
2,175

Methyl 4-iodosalicylate, 98%

CAS: 18179-39-0 Molecular Formula: C8H7IO3 Molecular Weight (g/mol): 278.045 MDL Number: MFCD06797864 InChI Key: WUFUURSWOJROKY-UHFFFAOYSA-N Synonym: methyl 4-iodosalicylate,2-hydroxy-4-iodobenzoic acid methyl ester,benzoic acid,2-hydroxy-4-iodo-, methyl ester,methyl-4-iodosalicylate,methyl 4-iodosalicyclate,acmc-1c81e,methyl2-hydroxy-4-iodobenzoate,methyl 4-iodo-2-hydroxybenzoate,methyl-2-hydroxy-4-iodo-benzoate PubChem CID: 11380407 IUPAC Name: methyl 2-hydroxy-4-iodobenzoate SMILES: COC(=O)C1=C(C=C(C=C1)I)O

PubChem CID 11380407
CAS 18179-39-0
Molecular Weight (g/mol) 278.045
MDL Number MFCD06797864
SMILES COC(=O)C1=C(C=C(C=C1)I)O
Synonym methyl 4-iodosalicylate,2-hydroxy-4-iodobenzoic acid methyl ester,benzoic acid,2-hydroxy-4-iodo-, methyl ester,methyl-4-iodosalicylate,methyl 4-iodosalicyclate,acmc-1c81e,methyl2-hydroxy-4-iodobenzoate,methyl 4-iodo-2-hydroxybenzoate,methyl-2-hydroxy-4-iodo-benzoate
IUPAC Name methyl 2-hydroxy-4-iodobenzoate
InChI Key WUFUURSWOJROKY-UHFFFAOYSA-N
Molecular Formula C8H7IO3