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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 (64,965)
Phenols (11,939)
Naphthalenes (4,958)
Fluorenes (1,242)
Unsubstituted Phenols (1,173)
Thiophenols (609)
Phenol esters (426)
Anthracenes (400)
Tetralins (329)
Phenanthrenes and derivatives (300)
Triphenyl compounds (290)
Indanes (288)
Pyrenes (217)
Dibenzocycloheptenes (65)
Ellagic acids and derivatives (33)
Naphthacenes (31)
Acenaphthylenes (16)
Pentacenequinones (16)
Pentacenes (15)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (5)

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Keyword Search:
7,516 – 7,530 of 73,882 results
7,516

2,4,5,6-Tetrafluoro-1,3-phenylenediamine 95.0+%, TCI America™
SDP

CAS: 1198-63-6 Molecular Formula: C6H4F4N2 Molecular Weight (g/mol): 180.11 MDL Number: MFCD00039764 InChI Key: FXGQUGCFZKMIJW-UHFFFAOYSA-N Synonym: 1,3-Diamino-2,4,5,6-tetrafluorobenzene PubChem CID: 70978 IUPAC Name: tetrafluorobenzene-1,3-diamine SMILES: NC1=C(F)C(F)=C(F)C(N)=C1F

PubChem CID 70978
CAS 1198-63-6
Molecular Weight (g/mol) 180.11
MDL Number MFCD00039764
SMILES NC1=C(F)C(F)=C(F)C(N)=C1F
Synonym 1,3-Diamino-2,4,5,6-tetrafluorobenzene
IUPAC Name tetrafluorobenzene-1,3-diamine
InChI Key FXGQUGCFZKMIJW-UHFFFAOYSA-N
Molecular Formula C6H4F4N2
7,517

2-Chlorobenzotrifluoride 98.0+%, TCI America™
SDP

CAS: 88-16-4 Molecular Formula: C7H4ClF3 Molecular Weight (g/mol): 180.554 MDL Number: MFCD00000561 InChI Key: DGRVQOKCSKDWIH-UHFFFAOYSA-N Synonym: 2-chlorobenzotrifluoride,1-chloro-2-trifluoromethyl benzene,o-chlorobenzotrifluoride,chlorobenzotrifluoride,benzene, 1-chloro-2-trifluoromethyl,2-chloro trifluoromethyl benzene,2-chloro-alpha,alpha,alpha-trifluorotoluene,2-chloro-benzotrifluoride,o-trifluoromethyl chlorobenzene,o-trifluoromethyl phenyl chloride PubChem CID: 6921 IUPAC Name: 1-chloro-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)Cl

PubChem CID 6921
CAS 88-16-4
Molecular Weight (g/mol) 180.554
MDL Number MFCD00000561
SMILES C1=CC=C(C(=C1)C(F)(F)F)Cl
Synonym 2-chlorobenzotrifluoride,1-chloro-2-trifluoromethyl benzene,o-chlorobenzotrifluoride,chlorobenzotrifluoride,benzene, 1-chloro-2-trifluoromethyl,2-chloro trifluoromethyl benzene,2-chloro-alpha,alpha,alpha-trifluorotoluene,2-chloro-benzotrifluoride,o-trifluoromethyl chlorobenzene,o-trifluoromethyl phenyl chloride
IUPAC Name 1-chloro-2-(trifluoromethyl)benzene
InChI Key DGRVQOKCSKDWIH-UHFFFAOYSA-N
Molecular Formula C7H4ClF3
7,518

Methyl Caffeate 98.0+%, TCI America™
SDP

CAS: 3843-74-1 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00210468 InChI Key: OCNYGKNIVPVPPX-HWKANZROSA-N Synonym: methyl caffeate,methyl 3-3,4-dihydroxyphenyl acrylate,caffeic acid methyl ester,e-methyl 3-3,4-dihydroxyphenyl acrylate,methylcaffeate,methyl 3,4-dihydroxycinnamate,caffeic acid, methyl ester,unii-n79173b9hf,methyl 2e-3-3,4-dihydroxyphenyl prop-2-enoate,chembl17001 PubChem CID: 689075 ChEBI: CHEBI:6856 IUPAC Name: methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate SMILES: COC(=O)C=CC1=CC(=C(C=C1)O)O

PubChem CID 689075
CAS 3843-74-1
Molecular Weight (g/mol) 194.186
ChEBI CHEBI:6856
MDL Number MFCD00210468
SMILES COC(=O)C=CC1=CC(=C(C=C1)O)O
Synonym methyl caffeate,methyl 3-3,4-dihydroxyphenyl acrylate,caffeic acid methyl ester,e-methyl 3-3,4-dihydroxyphenyl acrylate,methylcaffeate,methyl 3,4-dihydroxycinnamate,caffeic acid, methyl ester,unii-n79173b9hf,methyl 2e-3-3,4-dihydroxyphenyl prop-2-enoate,chembl17001
IUPAC Name methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI Key OCNYGKNIVPVPPX-HWKANZROSA-N
Molecular Formula C10H10O4
7,519

N-Ethyl-N-(4-picolyl)atropamide 90.0+%, TCI America™
SDP

CAS: 57322-50-6 Molecular Formula: C17H18N2O Molecular Weight (g/mol): 266.34 MDL Number: MFCD01321167 InChI Key: LOVSQYAVWGMIRV-UHFFFAOYSA-N Synonym: N-Ethyl-N-(4-picolyl)-2-phenylacrylamide, N-Ethyl-N-(4-pyridylmethyl)-2-phenylacrylamide PubChem CID: 44630282 IUPAC Name: N-ethyl-2-phenyl-N-[(pyridin-4-yl)methyl]prop-2-enamide SMILES: CCN(CC1=CC=NC=C1)C(=O)C(=C)C1=CC=CC=C1

PubChem CID 44630282
CAS 57322-50-6
Molecular Weight (g/mol) 266.34
MDL Number MFCD01321167
SMILES CCN(CC1=CC=NC=C1)C(=O)C(=C)C1=CC=CC=C1
Synonym N-Ethyl-N-(4-picolyl)-2-phenylacrylamide, N-Ethyl-N-(4-pyridylmethyl)-2-phenylacrylamide
IUPAC Name N-ethyl-2-phenyl-N-[(pyridin-4-yl)methyl]prop-2-enamide
InChI Key LOVSQYAVWGMIRV-UHFFFAOYSA-N
Molecular Formula C17H18N2O
7,520

3-Methylcatechol 99.0+%, TCI America™
SDP

CAS: 488-17-5 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.139 MDL Number: MFCD00016435 InChI Key: PGSWEKYNAOWQDF-UHFFFAOYSA-N Synonym: 3-methylcatechol,2,3-dihydroxytoluene,3-methylpyrocatechol,1,2-benzenediol, 3-methyl,2,3-toluenediol,dihydroxytoluene,pyrocatechol, 3-methyl,catechol, 3-methyl,1,2-dihydroxy-3-methylbenzene,3-methyl-1,2-benzenediol PubChem CID: 340 ChEBI: CHEBI:18404 IUPAC Name: 3-methylbenzene-1,2-diol SMILES: CC1=C(C(=CC=C1)O)O

PubChem CID 340
CAS 488-17-5
Molecular Weight (g/mol) 124.139
ChEBI CHEBI:18404
MDL Number MFCD00016435
SMILES CC1=C(C(=CC=C1)O)O
Synonym 3-methylcatechol,2,3-dihydroxytoluene,3-methylpyrocatechol,1,2-benzenediol, 3-methyl,2,3-toluenediol,dihydroxytoluene,pyrocatechol, 3-methyl,catechol, 3-methyl,1,2-dihydroxy-3-methylbenzene,3-methyl-1,2-benzenediol
IUPAC Name 3-methylbenzene-1,2-diol
InChI Key PGSWEKYNAOWQDF-UHFFFAOYSA-N
Molecular Formula C7H8O2
7,521

1-Bromo-2,5-bis(trifluoromethyl)benzene 87.0+%, TCI America™
SDP

CAS: 7617-93-8 Molecular Formula: C8H3BrF6 Molecular Weight (g/mol): 293.006 MDL Number: MFCD03094336 InChI Key: GFQNSGHVOFVTLC-UHFFFAOYSA-N Synonym: 2,5-bis trifluoromethyl bromobenzene,2-bromo-1,4-bis trifluoromethyl benzene,1-bromo-2,5-bis trifluoromethyl benzene,1,4-bis trifluoromethyl-2-bromobenzene,benzene, 2-bromo-1,4-bis trifluoromethyl,pubchem4264,acmc-1bisb,ksc495k7j,2,5-bis-trifluoromethylbromobenzene PubChem CID: 2734763 IUPAC Name: 2-bromo-1,4-bis(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1C(F)(F)F)Br)C(F)(F)F

PubChem CID 2734763
CAS 7617-93-8
Molecular Weight (g/mol) 293.006
MDL Number MFCD03094336
SMILES C1=CC(=C(C=C1C(F)(F)F)Br)C(F)(F)F
Synonym 2,5-bis trifluoromethyl bromobenzene,2-bromo-1,4-bis trifluoromethyl benzene,1-bromo-2,5-bis trifluoromethyl benzene,1,4-bis trifluoromethyl-2-bromobenzene,benzene, 2-bromo-1,4-bis trifluoromethyl,pubchem4264,acmc-1bisb,ksc495k7j,2,5-bis-trifluoromethylbromobenzene
IUPAC Name 2-bromo-1,4-bis(trifluoromethyl)benzene
InChI Key GFQNSGHVOFVTLC-UHFFFAOYSA-N
Molecular Formula C8H3BrF6
7,522

5-Fluoro-2-methoxybenzonitrile 98.0+%, TCI America™
SDP

CAS: 189628-38-4 Molecular Formula: C8H6FNO Molecular Weight (g/mol): 151.14 MDL Number: MFCD02683503 InChI Key: XNCVSNKXADJGOG-UHFFFAOYSA-N PubChem CID: 2782746 IUPAC Name: 5-fluoro-2-methoxybenzonitrile SMILES: COC1=C(C=C(C=C1)F)C#N

PubChem CID 2782746
CAS 189628-38-4
Molecular Weight (g/mol) 151.14
MDL Number MFCD02683503
SMILES COC1=C(C=C(C=C1)F)C#N
IUPAC Name 5-fluoro-2-methoxybenzonitrile
InChI Key XNCVSNKXADJGOG-UHFFFAOYSA-N
Molecular Formula C8H6FNO
7,523

3,3',5,5'-Tetra-tert-butyl-2,2'-dihydroxybiphenyl 98.0+%, TCI America™
SDP

CAS: 6390-69-8 Molecular Formula: C28H42O2 Molecular Weight (g/mol): 410.64 MDL Number: MFCD00085287 InChI Key: GDGDLBOVIAWEAD-UHFFFAOYSA-N PubChem CID: 80808 IUPAC Name: 3,3',5,5'-tetra-tert-butyl-[1,1'-biphenyl]-2,2'-diol SMILES: CC(C)(C)C1=CC(=C(O)C(=C1)C1=C(O)C(=CC(=C1)C(C)(C)C)C(C)(C)C)C(C)(C)C

PubChem CID 80808
CAS 6390-69-8
Molecular Weight (g/mol) 410.64
MDL Number MFCD00085287
SMILES CC(C)(C)C1=CC(=C(O)C(=C1)C1=C(O)C(=CC(=C1)C(C)(C)C)C(C)(C)C)C(C)(C)C
IUPAC Name 3,3',5,5'-tetra-tert-butyl-[1,1'-biphenyl]-2,2'-diol
InChI Key GDGDLBOVIAWEAD-UHFFFAOYSA-N
Molecular Formula C28H42O2
7,524

2-Bromo-5-methoxybenzoic Acid 98.0+%, TCI America™
SDP

CAS: 22921-68-2 Molecular Formula: C8H7BrO3 Molecular Weight (g/mol): 231.045 MDL Number: MFCD00020214 InChI Key: ODHJOROUCITYNF-UHFFFAOYSA-N Synonym: 6-bromo-m-anisic acid,2-bromo-5-methoxybenzoicacid,benzoic acid, 2-bromo-5-methoxy,5-methoxy-2-bromobenzoic acid,2-bromo-5-methoxy-benzoic acid,pubchem2674,acmc-1clk6,ksc205k0l,rarechem al be 1111,2-bromo-5-methoxy benzoic acid PubChem CID: 89906 IUPAC Name: 2-bromo-5-methoxybenzoic acid SMILES: COC1=CC(=C(C=C1)Br)C(=O)O

PubChem CID 89906
CAS 22921-68-2
Molecular Weight (g/mol) 231.045
MDL Number MFCD00020214
SMILES COC1=CC(=C(C=C1)Br)C(=O)O
Synonym 6-bromo-m-anisic acid,2-bromo-5-methoxybenzoicacid,benzoic acid, 2-bromo-5-methoxy,5-methoxy-2-bromobenzoic acid,2-bromo-5-methoxy-benzoic acid,pubchem2674,acmc-1clk6,ksc205k0l,rarechem al be 1111,2-bromo-5-methoxy benzoic acid
IUPAC Name 2-bromo-5-methoxybenzoic acid
InChI Key ODHJOROUCITYNF-UHFFFAOYSA-N
Molecular Formula C8H7BrO3
7,525

2-Bromo-4-methoxyphenylacetic Acid 98.0+%, TCI America™
SDP

CAS: 66916-99-2 Molecular Formula: C9H9BrO3 Molecular Weight (g/mol): 245.07 MDL Number: MFCD02664700 InChI Key: XQELSBAAFMYSMG-UHFFFAOYSA-N PubChem CID: 3963668 IUPAC Name: 2-(2-bromo-4-methoxyphenyl)acetic acid SMILES: COC1=CC(Br)=C(CC(O)=O)C=C1

PubChem CID 3963668
CAS 66916-99-2
Molecular Weight (g/mol) 245.07
MDL Number MFCD02664700
SMILES COC1=CC(Br)=C(CC(O)=O)C=C1
IUPAC Name 2-(2-bromo-4-methoxyphenyl)acetic acid
InChI Key XQELSBAAFMYSMG-UHFFFAOYSA-N
Molecular Formula C9H9BrO3
7,526

4-Bromomethylbiphenyl 98.0+%, TCI America™
SDP

CAS: 2567-29-5 Molecular Formula: C13H11Br Molecular Weight (g/mol): 247.135 MDL Number: MFCD00017869 InChI Key: HZQLUIZFUXNFHK-UHFFFAOYSA-N Synonym: 4-bromomethylbiphenyl,4-bromomethyl biphenyl,4-bromomethyl-1,1'-biphenyl,4-phenylbenzyl bromide,1-bromomethyl-4-phenylbenzene,bromoethylbiphenyl,4-biphenylmethylbromide,4-bromomethyl-biphenyl PubChem CID: 257716 IUPAC Name: 1-(bromomethyl)-4-phenylbenzene SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CBr

PubChem CID 257716
CAS 2567-29-5
Molecular Weight (g/mol) 247.135
MDL Number MFCD00017869
SMILES C1=CC=C(C=C1)C2=CC=C(C=C2)CBr
Synonym 4-bromomethylbiphenyl,4-bromomethyl biphenyl,4-bromomethyl-1,1'-biphenyl,4-phenylbenzyl bromide,1-bromomethyl-4-phenylbenzene,bromoethylbiphenyl,4-biphenylmethylbromide,4-bromomethyl-biphenyl
IUPAC Name 1-(bromomethyl)-4-phenylbenzene
InChI Key HZQLUIZFUXNFHK-UHFFFAOYSA-N
Molecular Formula C13H11Br
7,527

Benzyloxyacetic Acid 97.0+%, TCI America™
SDP

CAS: 30379-55-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00274211 InChI Key: GRZHHTYDZVRPIC-UHFFFAOYSA-N Synonym: benzyloxyacetic acid,2-benzyloxy acetic acid,benzyloxy acetic acid,acetic acid, phenylmethoxy,phenylmethoxyaceticacid,2-phenylmethoxy acetic acid,benzyloxy-acetic acid,2-benzyloxyacetic acid,acetic acid, 2-phenylmethoxy PubChem CID: 290301 IUPAC Name: 2-(benzyloxy)acetic acid SMILES: OC(=O)COCC1=CC=CC=C1

PubChem CID 290301
CAS 30379-55-6
Molecular Weight (g/mol) 166.18
MDL Number MFCD00274211
SMILES OC(=O)COCC1=CC=CC=C1
Synonym benzyloxyacetic acid,2-benzyloxy acetic acid,benzyloxy acetic acid,acetic acid, phenylmethoxy,phenylmethoxyaceticacid,2-phenylmethoxy acetic acid,benzyloxy-acetic acid,2-benzyloxyacetic acid,acetic acid, 2-phenylmethoxy
IUPAC Name 2-(benzyloxy)acetic acid
InChI Key GRZHHTYDZVRPIC-UHFFFAOYSA-N
Molecular Formula C9H10O3
7,528

9-Bromotriptycene 98.0+%, TCI America™
SDP

CAS: 15364-55-3 Molecular Formula: C20H13Br Molecular Weight (g/mol): 333.23 MDL Number: MFCD01099022 InChI Key: HSROKCVTEYMWHO-UHFFFAOYSA-N Synonym: 9-Bromo-9,10-dihydro-9,10-[1,2]benzenoanthracene PubChem CID: 139927 IUPAC Name: 1-bromopentacyclo[6.6.6.0²,⁷.0⁹,¹⁴.0¹⁵,²⁰]icosa-2,4,6,9,11,13,15,17,19-nonaene SMILES: BrC12C3=CC=CC=C3C(C3=CC=CC=C13)C1=CC=CC=C21

PubChem CID 139927
CAS 15364-55-3
Molecular Weight (g/mol) 333.23
MDL Number MFCD01099022
SMILES BrC12C3=CC=CC=C3C(C3=CC=CC=C13)C1=CC=CC=C21
Synonym 9-Bromo-9,10-dihydro-9,10-[1,2]benzenoanthracene
IUPAC Name 1-bromopentacyclo[6.6.6.0²,⁷.0⁹,¹⁴.0¹⁵,²⁰]icosa-2,4,6,9,11,13,15,17,19-nonaene
InChI Key HSROKCVTEYMWHO-UHFFFAOYSA-N
Molecular Formula C20H13Br
7,529

1-(o-Tolyl)piperazine 98.0+%, TCI America™
SDP

CAS: 39512-51-1 Molecular Formula: C11H16N2 Molecular Weight (g/mol): 176.263 MDL Number: MFCD00040729 InChI Key: WICKLEOONJPMEQ-UHFFFAOYSA-N Synonym: 1-2-methylphenyl piperazine,1-o-tolyl piperazine,4-2-methylphenyl piperazine,1-o-tolylpiperazine,piperazine, 1-2-methylphenyl,1-o-tolyl-piperazine,1-2-methylphenyl-piperazine,o-tolylpiperazine,2-methylphenylpiperazine,chembl9746 PubChem CID: 91965 IUPAC Name: 1-(2-methylphenyl)piperazine SMILES: CC1=CC=CC=C1N2CCNCC2

PubChem CID 91965
CAS 39512-51-1
Molecular Weight (g/mol) 176.263
MDL Number MFCD00040729
SMILES CC1=CC=CC=C1N2CCNCC2
Synonym 1-2-methylphenyl piperazine,1-o-tolyl piperazine,4-2-methylphenyl piperazine,1-o-tolylpiperazine,piperazine, 1-2-methylphenyl,1-o-tolyl-piperazine,1-2-methylphenyl-piperazine,o-tolylpiperazine,2-methylphenylpiperazine,chembl9746
IUPAC Name 1-(2-methylphenyl)piperazine
InChI Key WICKLEOONJPMEQ-UHFFFAOYSA-N
Molecular Formula C11H16N2
7,530

2,6-Dimethoxytoluene 98.0+%, TCI America™
SDP

CAS: 5673-07-4 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00008374 InChI Key: FPEUDBGJAVKAEE-UHFFFAOYSA-N Synonym: 2,6-dimethoxytoluene,benzene, 1,3-dimethoxy-2-methyl,2-methyl-1,3-bis methyloxy benzene,1,3-dimethoxy-2-methylbenzol,pubchem4545,acmc-1aqu0,3-chloro-6-hydroxybiphenyl,1,3-dimethoxy-2-methyl-benzene,# PubChem CID: 79755 IUPAC Name: 1,3-dimethoxy-2-methylbenzene SMILES: CC1=C(C=CC=C1OC)OC

PubChem CID 79755
CAS 5673-07-4
Molecular Weight (g/mol) 152.19
MDL Number MFCD00008374
SMILES CC1=C(C=CC=C1OC)OC
Synonym 2,6-dimethoxytoluene,benzene, 1,3-dimethoxy-2-methyl,2-methyl-1,3-bis methyloxy benzene,1,3-dimethoxy-2-methylbenzol,pubchem4545,acmc-1aqu0,3-chloro-6-hydroxybiphenyl,1,3-dimethoxy-2-methyl-benzene,#
IUPAC Name 1,3-dimethoxy-2-methylbenzene
InChI Key FPEUDBGJAVKAEE-UHFFFAOYSA-N
Molecular Formula C9H12O2