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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 (130,195)
Phenols (25,097)
Naphthalenes (6,366)
Phenol esters (4,814)
Unsubstituted Phenols (1,453)
Fluorenes (1,295)
Thiophenols (762)
Anthracenes (515)
Indanes (488)
Phenanthrenes and derivatives (364)
Tetralins (337)
Triphenyl compounds (278)
Pyrenes (277)
Dibenzocycloheptenes (60)
Naphthacenes (35)
Ellagic acids and derivatives (33)
Pentacenes (20)
Acenaphthylenes (16)
Pentacenequinones (16)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (6)

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5,851 – 5,865 of 159,121 results
5,851
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4-Cyanobenzophenone, 98%

CAS: 1503-49-7 Molecular Formula: C14H9NO Molecular Weight (g/mol): 207.232 MDL Number: MFCD00016382 InChI Key: YSZWJJANSNFQMM-UHFFFAOYSA-N PubChem CID: 73921 IUPAC Name: 4-benzoylbenzonitrile SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C#N

PubChem CID 73921
CAS 1503-49-7
Molecular Weight (g/mol) 207.232
MDL Number MFCD00016382
SMILES C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C#N
IUPAC Name 4-benzoylbenzonitrile
InChI Key YSZWJJANSNFQMM-UHFFFAOYSA-N
Molecular Formula C14H9NO
5,852
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4-Methoxybenzaldehyde dimethyl acetal, 98%

CAS: 2186-92-7 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.22 MDL Number: MFCD00036507 InChI Key: NNHYAHOTXLASEA-UHFFFAOYSA-N Synonym: 1-dimethoxymethyl-4-methoxybenzene,p-anisaldehyde dimethyl acetal,anisaldehyde dimethyl acetal,4-methoxybenzaldehyde dimethyl acetal,p-dimethoxymethyl anisole,benzene, 1-dimethoxymethyl-4-methoxy,p-anisaldehydedimethylacetal,unii-xte77a5et4,anisicaldehyde dimethylacetal,p-anisaldehyde dimethylacetal PubChem CID: 75140 IUPAC Name: 1-(dimethoxymethyl)-4-methoxybenzene SMILES: COC(OC)C1=CC=C(OC)C=C1

PubChem CID 75140
CAS 2186-92-7
Molecular Weight (g/mol) 182.22
MDL Number MFCD00036507
SMILES COC(OC)C1=CC=C(OC)C=C1
Synonym 1-dimethoxymethyl-4-methoxybenzene,p-anisaldehyde dimethyl acetal,anisaldehyde dimethyl acetal,4-methoxybenzaldehyde dimethyl acetal,p-dimethoxymethyl anisole,benzene, 1-dimethoxymethyl-4-methoxy,p-anisaldehydedimethylacetal,unii-xte77a5et4,anisicaldehyde dimethylacetal,p-anisaldehyde dimethylacetal
IUPAC Name 1-(dimethoxymethyl)-4-methoxybenzene
InChI Key NNHYAHOTXLASEA-UHFFFAOYSA-N
Molecular Formula C10H14O3
5,853
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4-Hydroxybenzonitrile, 98+%

CAS: 767-00-0 Molecular Formula: C7H5NO Molecular Weight (g/mol): 119.123 MDL Number: MFCD00002312 InChI Key: CVNOWLNNPYYEOH-UHFFFAOYSA-N Synonym: 4-cyanophenol,p-hydroxybenzonitrile,p-cyanophenol,benzonitrile, 4-hydroxy,benzonitrile, p-hydroxy,4-cyano phenol,4-hydroxybenzoic acid nitrile,4-hydroxy-benzonitrile,4-hydroxy benzonitrile,4-hydroxybenzenecarbonitrile PubChem CID: 13019 ChEBI: CHEBI:38622 IUPAC Name: 4-hydroxybenzonitrile SMILES: C1=CC(=CC=C1C#N)O

PubChem CID 13019
CAS 767-00-0
Molecular Weight (g/mol) 119.123
ChEBI CHEBI:38622
MDL Number MFCD00002312
SMILES C1=CC(=CC=C1C#N)O
Synonym 4-cyanophenol,p-hydroxybenzonitrile,p-cyanophenol,benzonitrile, 4-hydroxy,benzonitrile, p-hydroxy,4-cyano phenol,4-hydroxybenzoic acid nitrile,4-hydroxy-benzonitrile,4-hydroxy benzonitrile,4-hydroxybenzenecarbonitrile
IUPAC Name 4-hydroxybenzonitrile
InChI Key CVNOWLNNPYYEOH-UHFFFAOYSA-N
Molecular Formula C7H5NO
5,854
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2,5-Dimethoxybenzonitrile, 98%

CAS: 5312-97-0 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 MDL Number: MFCD00016375 InChI Key: HWAMEJIMXIXLIH-UHFFFAOYSA-N PubChem CID: 79200 IUPAC Name: 2,5-dimethoxybenzonitrile SMILES: COC1=CC(=C(C=C1)OC)C#N

PubChem CID 79200
CAS 5312-97-0
Molecular Weight (g/mol) 163.176
MDL Number MFCD00016375
SMILES COC1=CC(=C(C=C1)OC)C#N
IUPAC Name 2,5-dimethoxybenzonitrile
InChI Key HWAMEJIMXIXLIH-UHFFFAOYSA-N
Molecular Formula C9H9NO2
5,855
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3,4-Dichlorobenzoic acid, 99%

CAS: 51-44-5 Molecular Formula: C7H4Cl2O2 Molecular Weight (g/mol): 191.01 MDL Number: MFCD00002492 InChI Key: VPHHJAOJUJHJKD-UHFFFAOYSA-N Synonym: benzoic acid, 3,4-dichloro,unii-ys4zr9bxwx,3,4-dichloro-benzoic acid,ys4zr9bxwx,benzoic acid,4-dichloro,wln: qvr cg dg,pubchem3686,acmc-209kts,dsstox_cid_4980,dsstox_rid_77609 PubChem CID: 5817 ChEBI: CHEBI:49401 IUPAC Name: 3,4-dichlorobenzoic acid SMILES: OC(=O)C1=CC=C(Cl)C(Cl)=C1

PubChem CID 5817
CAS 51-44-5
Molecular Weight (g/mol) 191.01
ChEBI CHEBI:49401
MDL Number MFCD00002492
SMILES OC(=O)C1=CC=C(Cl)C(Cl)=C1
Synonym benzoic acid, 3,4-dichloro,unii-ys4zr9bxwx,3,4-dichloro-benzoic acid,ys4zr9bxwx,benzoic acid,4-dichloro,wln: qvr cg dg,pubchem3686,acmc-209kts,dsstox_cid_4980,dsstox_rid_77609
IUPAC Name 3,4-dichlorobenzoic acid
InChI Key VPHHJAOJUJHJKD-UHFFFAOYSA-N
Molecular Formula C7H4Cl2O2
5,856
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2-Chlorobenzophenone, 99+%

CAS: 3-8-5162 Molecular Formula: C13H9ClO Molecular Weight (g/mol): 216.66 MDL Number: MFCD00000558 InChI Key: VMHYWKBKHMYRNF-UHFFFAOYSA-N

CAS 3-8-5162
Molecular Weight (g/mol) 216.66
MDL Number MFCD00000558
InChI Key VMHYWKBKHMYRNF-UHFFFAOYSA-N
Molecular Formula C13H9ClO
5,857
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4-Bromo-2-fluorotoluene, 99%

CAS: 51436-99-8 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.027 MDL Number: MFCD00013551 InChI Key: YZFVUQSAJMLFOZ-UHFFFAOYSA-N Synonym: 4-bromo-2-fluorotoluene,2-fluoro-4-bromotoluene,benzene, 4-bromo-2-fluoro-1-methyl,toluene,2-fluoro-4-bromo,4-bromo-2-fluoro-1-methyl-benzene,pubchem1601,acmc-1an2v,2-fluoro-4-bromo toluene,4-bromo-2-fluoro-toluene PubChem CID: 171040 IUPAC Name: 4-bromo-2-fluoro-1-methylbenzene SMILES: CC1=C(C=C(C=C1)Br)F

PubChem CID 171040
CAS 51436-99-8
Molecular Weight (g/mol) 189.027
MDL Number MFCD00013551
SMILES CC1=C(C=C(C=C1)Br)F
Synonym 4-bromo-2-fluorotoluene,2-fluoro-4-bromotoluene,benzene, 4-bromo-2-fluoro-1-methyl,toluene,2-fluoro-4-bromo,4-bromo-2-fluoro-1-methyl-benzene,pubchem1601,acmc-1an2v,2-fluoro-4-bromo toluene,4-bromo-2-fluoro-toluene
IUPAC Name 4-bromo-2-fluoro-1-methylbenzene
InChI Key YZFVUQSAJMLFOZ-UHFFFAOYSA-N
Molecular Formula C7H6BrF
5,858
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Decafluorobiphenyl, 99%

CAS: 434-90-2 Molecular Formula: C12F10 Molecular Weight (g/mol): 334.116 MDL Number: MFCD00000292 InChI Key: ONUFSRWQCKNVSL-UHFFFAOYSA-N Synonym: decafluorobiphenyl,perfluorobiphenyl,biphenyl, decafluoro,perfluorodiphenyl,1,1'-biphenyl, 2,2',3,3',4,4',5,5',6,6'-decafluoro,1,2,3,4,5-pentafluoro-6-2,3,4,5,6-pentafluorophenyl benzene,decafluoro biphenyl,pubchem9114,acmc-1ctuw PubChem CID: 67949 IUPAC Name: 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F

PubChem CID 67949
CAS 434-90-2
Molecular Weight (g/mol) 334.116
MDL Number MFCD00000292
SMILES C1(=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F
Synonym decafluorobiphenyl,perfluorobiphenyl,biphenyl, decafluoro,perfluorodiphenyl,1,1'-biphenyl, 2,2',3,3',4,4',5,5',6,6'-decafluoro,1,2,3,4,5-pentafluoro-6-2,3,4,5,6-pentafluorophenyl benzene,decafluoro biphenyl,pubchem9114,acmc-1ctuw
IUPAC Name 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene
InChI Key ONUFSRWQCKNVSL-UHFFFAOYSA-N
Molecular Formula C12F10
5,859
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2,4-Dichloro-1-(4-nitrophenoxy)benzene, 98%

CAS: 1836-75-5 Molecular Formula: C12H7Cl2NO3 Molecular Weight (g/mol): 284.092 MDL Number: MFCD00128026 InChI Key: XITQUSLLOSKDTB-UHFFFAOYSA-N Synonym: nitrofen,2,4-dichloro-1-4-nitrophenoxy benzene,nitrochlor,nitrophen,niclofen,nitrophene,trizilin,mezotox,nitrafen,nitraphen PubChem CID: 15787 IUPAC Name: 2,4-dichloro-1-(4-nitrophenoxy)benzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl

PubChem CID 15787
CAS 1836-75-5
Molecular Weight (g/mol) 284.092
MDL Number MFCD00128026
SMILES C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl
Synonym nitrofen,2,4-dichloro-1-4-nitrophenoxy benzene,nitrochlor,nitrophen,niclofen,nitrophene,trizilin,mezotox,nitrafen,nitraphen
IUPAC Name 2,4-dichloro-1-(4-nitrophenoxy)benzene
InChI Key XITQUSLLOSKDTB-UHFFFAOYSA-N
Molecular Formula C12H7Cl2NO3
5,860
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Ethyl 2-nitrobenzoate, 97%

CAS: 610-34-4 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00014696 InChI Key: CPNMAYYYYSWTIV-UHFFFAOYSA-N Synonym: ethyl o-nitrobenzoate,ethyl nitrobenzoate,benzoic acid, o-nitro-, ethyl ester,benzoic acid, 2-nitro-, ethyl ester,nitrobenzoesaureathylester,acmc-1aul6,2-nitro-benzoic acid ethyl ester PubChem CID: 69123 IUPAC Name: ethyl 2-nitrobenzoate SMILES: CCOC(=O)C1=CC=CC=C1[N+]([O-])=O

PubChem CID 69123
CAS 610-34-4
Molecular Weight (g/mol) 195.17
MDL Number MFCD00014696
SMILES CCOC(=O)C1=CC=CC=C1[N+]([O-])=O
Synonym ethyl o-nitrobenzoate,ethyl nitrobenzoate,benzoic acid, o-nitro-, ethyl ester,benzoic acid, 2-nitro-, ethyl ester,nitrobenzoesaureathylester,acmc-1aul6,2-nitro-benzoic acid ethyl ester
IUPAC Name ethyl 2-nitrobenzoate
InChI Key CPNMAYYYYSWTIV-UHFFFAOYSA-N
Molecular Formula C9H9NO4
5,861
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4-Bromo-2-fluorobenzoic acid, 98%

CAS: 112704-79-7 Molecular Formula: C7H3BrFO2 Molecular Weight (g/mol): 218.00 MDL Number: MFCD00143263 InChI Key: ZQQSRVPOAHYHEL-UHFFFAOYSA-M Synonym: 2-fluoro-4-bromobenzoic acid,4-bromo-2-fluoro-benzoic acid,4-bromo-2-fluorobenzoicacid,benzoic acid, 4-bromo-2-fluoro,pubchem1313,enzalutamide impurity a,acmc-1btmf,2-fluro-4-bromobenzoic acid,ksc174m4p,rarechem al bo 0754 PubChem CID: 302681 IUPAC Name: 4-bromo-2-fluorobenzoic acid SMILES: [O-]C(=O)C1=CC=C(Br)C=C1F

PubChem CID 302681
CAS 112704-79-7
Molecular Weight (g/mol) 218.00
MDL Number MFCD00143263
SMILES [O-]C(=O)C1=CC=C(Br)C=C1F
Synonym 2-fluoro-4-bromobenzoic acid,4-bromo-2-fluoro-benzoic acid,4-bromo-2-fluorobenzoicacid,benzoic acid, 4-bromo-2-fluoro,pubchem1313,enzalutamide impurity a,acmc-1btmf,2-fluro-4-bromobenzoic acid,ksc174m4p,rarechem al bo 0754
IUPAC Name 4-bromo-2-fluorobenzoic acid
InChI Key ZQQSRVPOAHYHEL-UHFFFAOYSA-M
Molecular Formula C7H3BrFO2
5,862
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4-Hydroxy-3,5-dimethylbenzonitrile, 98%

CAS: 4198-90-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00221716 InChI Key: WFYGXOWFEIOHCZ-UHFFFAOYSA-N Synonym: 3,5-dimethyl-4-hydroxybenzonitrile,4-cyano-2,6-dimethylphenol,2,6-dimethyl-4-cyanophenol,4-hydroxy-3,5-dimethyl-benzonitrile,3,5-dimethyl-4-hydroxy benzonitrile,benzonitrile, 3,5-dimethyl-4-hydroxy,4-hydroxy-3,5-dimethylbenzenecarbonitrile,benzonitrile, 4-hydroxy-3,5-dimethyl,pubchem11065,acmc-209jmm PubChem CID: 20176 IUPAC Name: 4-hydroxy-3,5-dimethylbenzonitrile SMILES: CC1=CC(=CC(=C1O)C)C#N

PubChem CID 20176
CAS 4198-90-7
Molecular Weight (g/mol) 147.177
MDL Number MFCD00221716
SMILES CC1=CC(=CC(=C1O)C)C#N
Synonym 3,5-dimethyl-4-hydroxybenzonitrile,4-cyano-2,6-dimethylphenol,2,6-dimethyl-4-cyanophenol,4-hydroxy-3,5-dimethyl-benzonitrile,3,5-dimethyl-4-hydroxy benzonitrile,benzonitrile, 3,5-dimethyl-4-hydroxy,4-hydroxy-3,5-dimethylbenzenecarbonitrile,benzonitrile, 4-hydroxy-3,5-dimethyl,pubchem11065,acmc-209jmm
IUPAC Name 4-hydroxy-3,5-dimethylbenzonitrile
InChI Key WFYGXOWFEIOHCZ-UHFFFAOYSA-N
Molecular Formula C9H9NO
5,863
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3-Bromophenylacetonitrile, 97%

CAS: 31938-07-5 Molecular Formula: C8H6BrN Molecular Weight (g/mol): 196.047 MDL Number: MFCD00001906 InChI Key: UUZYFBXKWIQKTF-UHFFFAOYSA-N Synonym: 3-bromophenylacetonitrile,3-bromobenzyl cyanide,2-3-bromophenyl acetonitrile,m-bromobenzyl cyanide,benzeneacetonitrile, 3-bromo,3-bromobenzylcyanide,3-bromobenzeneacetonitrile,3-bromophenyl acetonitrile,m-bromophenylacetonitrile,2-3-bromophenyl ethanenitrile PubChem CID: 36023 IUPAC Name: 2-(3-bromophenyl)acetonitrile SMILES: C1=CC(=CC(=C1)Br)CC#N

PubChem CID 36023
CAS 31938-07-5
Molecular Weight (g/mol) 196.047
MDL Number MFCD00001906
SMILES C1=CC(=CC(=C1)Br)CC#N
Synonym 3-bromophenylacetonitrile,3-bromobenzyl cyanide,2-3-bromophenyl acetonitrile,m-bromobenzyl cyanide,benzeneacetonitrile, 3-bromo,3-bromobenzylcyanide,3-bromobenzeneacetonitrile,3-bromophenyl acetonitrile,m-bromophenylacetonitrile,2-3-bromophenyl ethanenitrile
IUPAC Name 2-(3-bromophenyl)acetonitrile
InChI Key UUZYFBXKWIQKTF-UHFFFAOYSA-N
Molecular Formula C8H6BrN
5,864
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2,4-Difluorophenylacetic acid, 99%

CAS: 81228-09-3 Molecular Formula: C8H5F2O2 Molecular Weight (g/mol): 171.12 MDL Number: MFCD00009999 InChI Key: QPKZIGHNRLZBCL-UHFFFAOYSA-M Synonym: 2,4-difluorophenylacetic acid,2-2,4-difluorophenyl acetic acid,benzeneacetic acid, 2,4-difluoro,2,4-difluorophenyl acetic acid,2,4-ddifluorophenylacetic acid,rarechem al bo 0247,2,4-difluoro-phenyl-acetic acid,2,4-difluorobenzeneacetic acid,2,4-difluorophenylaceticacid PubChem CID: 123581 IUPAC Name: 2-(2,4-difluorophenyl)acetic acid SMILES: [O-]C(=O)CC1=CC=C(F)C=C1F

PubChem CID 123581
CAS 81228-09-3
Molecular Weight (g/mol) 171.12
MDL Number MFCD00009999
SMILES [O-]C(=O)CC1=CC=C(F)C=C1F
Synonym 2,4-difluorophenylacetic acid,2-2,4-difluorophenyl acetic acid,benzeneacetic acid, 2,4-difluoro,2,4-difluorophenyl acetic acid,2,4-ddifluorophenylacetic acid,rarechem al bo 0247,2,4-difluoro-phenyl-acetic acid,2,4-difluorobenzeneacetic acid,2,4-difluorophenylaceticacid
IUPAC Name 2-(2,4-difluorophenyl)acetic acid
InChI Key QPKZIGHNRLZBCL-UHFFFAOYSA-M
Molecular Formula C8H5F2O2
5,865
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4-Acetamidobenzaldehyde, 98%

CAS: 122-85-0 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 MDL Number: MFCD00003380 InChI Key: SKLUWKYNZNXSLX-UHFFFAOYSA-N Synonym: 4-acetamidobenzaldehyde,n-4-formylphenyl acetamide,4-acetylaminobenzaldehyde,p-formylacetanilide,acetamide, n-4-formylphenyl,micotiazone,4-formylacetanilide,4'-formylacetanilide,p-acetamidobenzaldehyde,p-acetaminobenzaldehyde PubChem CID: 73942 IUPAC Name: N-(4-formylphenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)C=O

PubChem CID 73942
CAS 122-85-0
Molecular Weight (g/mol) 163.176
MDL Number MFCD00003380
SMILES CC(=O)NC1=CC=C(C=C1)C=O
Synonym 4-acetamidobenzaldehyde,n-4-formylphenyl acetamide,4-acetylaminobenzaldehyde,p-formylacetanilide,acetamide, n-4-formylphenyl,micotiazone,4-formylacetanilide,4'-formylacetanilide,p-acetamidobenzaldehyde,p-acetaminobenzaldehyde
IUPAC Name N-(4-formylphenyl)acetamide
InChI Key SKLUWKYNZNXSLX-UHFFFAOYSA-N
Molecular Formula C9H9NO2