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.

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8,416 – 8,430 of 77,916 results

8,416

3,5-Dibromo-1-trimethylsilylbenzene 97.0+%, TCI America™

CAS: 17878-23-8 Molecular Formula: C9H12Br2Si Molecular Weight (g/mol): 308.09 MDL Number: MFCD03844787 InChI Key: SZQQTWLBYAKIOT-UHFFFAOYSA-N Synonym: (3,5-Dibromophenyl)trimethylsilane PubChem CID: 626244 IUPAC Name: (3,5-dibromophenyl)trimethylsilane SMILES: C[Si](C)(C)C1=CC(Br)=CC(Br)=C1

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Specifications

PubChem CID	626244
CAS	17878-23-8
Molecular Weight (g/mol)	308.09
MDL Number	MFCD03844787
SMILES	C[Si](C)(C)C1=CC(Br)=CC(Br)=C1
Synonym	(3,5-Dibromophenyl)trimethylsilane
IUPAC Name	(3,5-dibromophenyl)trimethylsilane
InChI Key	SZQQTWLBYAKIOT-UHFFFAOYSA-N
Molecular Formula	C9H12Br2Si

8,417

5-Bromo-2-chlorobenzotrifluoride 98.0+%, TCI America™

CAS: 445-01-2 Molecular Formula: C7H3BrClF3 Molecular Weight (g/mol): 259.45 MDL Number: MFCD00000601 InChI Key: XGOCKBMEZPNDPJ-UHFFFAOYSA-N Synonym: 5-bromo-2-chlorobenzotrifluoride,4-bromo-1-chloro-2-trifluoromethyl benzene,2-chloro-5-bromobenzotrifluoride,5-bromo-2-chloro-benzenetrifluoride,5-bromo-2-chlorotrifluoride,3-bromo-6-chlorobenzotrifluoride,benzene, 4-bromo-1-chloro-2-trifluoromethyl,5-bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene,2-chloro-5-bromo-trifluorotoluene,4-bromo-1-chloro-2-trifluoromethyl-benzene PubChem CID: 67959 IUPAC Name: 4-bromo-1-chloro-2-(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC(Br)=CC=C1Cl

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Specifications

PubChem CID	67959
CAS	445-01-2
Molecular Weight (g/mol)	259.45
MDL Number	MFCD00000601
SMILES	FC(F)(F)C1=CC(Br)=CC=C1Cl
Synonym	5-bromo-2-chlorobenzotrifluoride,4-bromo-1-chloro-2-trifluoromethyl benzene,2-chloro-5-bromobenzotrifluoride,5-bromo-2-chloro-benzenetrifluoride,5-bromo-2-chlorotrifluoride,3-bromo-6-chlorobenzotrifluoride,benzene, 4-bromo-1-chloro-2-trifluoromethyl,5-bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene,2-chloro-5-bromo-trifluorotoluene,4-bromo-1-chloro-2-trifluoromethyl-benzene
IUPAC Name	4-bromo-1-chloro-2-(trifluoromethyl)benzene
InChI Key	XGOCKBMEZPNDPJ-UHFFFAOYSA-N
Molecular Formula	C7H3BrClF3

8,418

4-Amino-2,3,5,6-tetrafluorobenzoic Acid 97.0+%, TCI America™

CAS: 944-43-4 Molecular Formula: C7H3F4NO2 Molecular Weight (g/mol): 209.1 MDL Number: MFCD00007647 InChI Key: WTNSXWSOTDBWOR-UHFFFAOYSA-N Synonym: 2,3,5,6-tetrafluoro-4-aminobenzoic acid,acmc-209rrw,4-amino-2,3,5,6-tetrafluorobenzoicacid,2,3,5,6-tetrafluoro-4-amino-benzoic acid,4-amino-2,3,5,6-tetrafluoro-benzoic acid,benzoic acid,4-amino-2,3,5,6-tetrafluoro,benzoic acid, 4-amino-2,3,5,6-tetrafluoro,4-amino-2,3,5,6-tetrafluorobenzoic acid PubChem CID: 70345 IUPAC Name: 4-amino-2,3,5,6-tetrafluorobenzoic acid SMILES: C1(=C(C(=C(C(=C1F)F)N)F)F)C(=O)O

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Specifications

PubChem CID	70345
CAS	944-43-4
Molecular Weight (g/mol)	209.1
MDL Number	MFCD00007647
SMILES	C1(=C(C(=C(C(=C1F)F)N)F)F)C(=O)O
Synonym	2,3,5,6-tetrafluoro-4-aminobenzoic acid,acmc-209rrw,4-amino-2,3,5,6-tetrafluorobenzoicacid,2,3,5,6-tetrafluoro-4-amino-benzoic acid,4-amino-2,3,5,6-tetrafluoro-benzoic acid,benzoic acid,4-amino-2,3,5,6-tetrafluoro,benzoic acid, 4-amino-2,3,5,6-tetrafluoro,4-amino-2,3,5,6-tetrafluorobenzoic acid
IUPAC Name	4-amino-2,3,5,6-tetrafluorobenzoic acid
InChI Key	WTNSXWSOTDBWOR-UHFFFAOYSA-N
Molecular Formula	C7H3F4NO2

8,419

4,4'-Bis(alpha,alpha-dimethylbenzyl)diphenylamine 98.0+%, TCI America™

CAS: 10081-67-1 Molecular Formula: C30H31N Molecular Weight (g/mol): 405.585 MDL Number: MFCD00337918 InChI Key: UJAWGGOCYUPCPS-UHFFFAOYSA-N PubChem CID: 82343 IUPAC Name: 4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline SMILES: CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)NC3=CC=C(C=C3)C(C)(C)C4=CC=CC=C4

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Specifications

PubChem CID	82343
CAS	10081-67-1
Molecular Weight (g/mol)	405.585
MDL Number	MFCD00337918
SMILES	CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)NC3=CC=C(C=C3)C(C)(C)C4=CC=CC=C4
IUPAC Name	4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
InChI Key	UJAWGGOCYUPCPS-UHFFFAOYSA-N
Molecular Formula	C30H31N

8,420

2,2'-Dihydroxybenzophenone 99.0+%, TCI America™

CAS: 835-11-0 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00002217 InChI Key: YIYBRXKMQFDHSM-UHFFFAOYSA-N PubChem CID: 70038 ChEBI: CHEBI:34209 IUPAC Name: bis(2-hydroxyphenyl)methanone SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=CC=C2O)O

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Specifications

PubChem CID	70038
CAS	835-11-0
Molecular Weight (g/mol)	214.22
ChEBI	CHEBI:34209
MDL Number	MFCD00002217
SMILES	C1=CC=C(C(=C1)C(=O)C2=CC=CC=C2O)O
IUPAC Name	bis(2-hydroxyphenyl)methanone
InChI Key	YIYBRXKMQFDHSM-UHFFFAOYSA-N
Molecular Formula	C13H10O3

8,421

N-(Triphenylmethyl)-L-serine Methyl Ester 98.0+%, TCI America™

CAS: 4465-44-5 Molecular Formula: C23H23NO3 Molecular Weight (g/mol): 361.441 MDL Number: MFCD00192570 InChI Key: LXAWQKKSNNYYEK-NRFANRHFSA-N Synonym: N-Trityl-L-serine Methyl Ester, Trt-Ser-OMe PubChem CID: 7128367 IUPAC Name: methyl (2S)-3-hydroxy-2-(tritylamino)propanoate SMILES: COC(=O)C(CO)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

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Specifications

PubChem CID	7128367
CAS	4465-44-5
Molecular Weight (g/mol)	361.441
MDL Number	MFCD00192570
SMILES	COC(=O)C(CO)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
Synonym	N-Trityl-L-serine Methyl Ester, Trt-Ser-OMe
IUPAC Name	methyl (2S)-3-hydroxy-2-(tritylamino)propanoate
InChI Key	LXAWQKKSNNYYEK-NRFANRHFSA-N
Molecular Formula	C23H23NO3

8,422

(3,4-Dimethoxybenzyl)triphenylphosphonium Bromide 98.0+%, TCI America™

CAS: 70219-09-9 Molecular Formula: C27H26BrO2P Molecular Weight (g/mol): 493.381 InChI Key: BLALYSCMLUQKSG-UHFFFAOYSA-M PubChem CID: 11049284 IUPAC Name: (3,4-dimethoxyphenyl)methyl-triphenylphosphanium;bromide SMILES: COC1=C(C=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC.[Br-]

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Specifications

PubChem CID	11049284
CAS	70219-09-9
Molecular Weight (g/mol)	493.381
SMILES	COC1=C(C=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC.[Br-]
IUPAC Name	(3,4-dimethoxyphenyl)methyl-triphenylphosphanium;bromide
InChI Key	BLALYSCMLUQKSG-UHFFFAOYSA-M
Molecular Formula	C27H26BrO2P

8,423

Methyl 3-Fluorophenylacetate 98.0+%, TCI America™

CAS: 64123-77-9 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.17 MDL Number: MFCD03093288 InChI Key: OXYLCGRXCQARQV-UHFFFAOYSA-N PubChem CID: 2734108 IUPAC Name: methyl 2-(3-fluorophenyl)acetate SMILES: COC(=O)CC1=CC=CC(F)=C1

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Specifications

PubChem CID	2734108
CAS	64123-77-9
Molecular Weight (g/mol)	168.17
MDL Number	MFCD03093288
SMILES	COC(=O)CC1=CC=CC(F)=C1
IUPAC Name	methyl 2-(3-fluorophenyl)acetate
InChI Key	OXYLCGRXCQARQV-UHFFFAOYSA-N
Molecular Formula	C9H9FO2

8,424

1,3-Bis(4-chlorophenyl)urea 98.0+%, TCI America™

CAS: 1219-99-4 Molecular Formula: C13H10Cl2N2O Molecular Weight (g/mol): 281.14 MDL Number: MFCD00018541 InChI Key: ZNQCSLYENQIUMJ-UHFFFAOYSA-N PubChem CID: 94996 IUPAC Name: 1,3-bis(4-chlorophenyl)urea SMILES: ClC1=CC=C(NC(=O)NC2=CC=C(Cl)C=C2)C=C1

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Specifications

PubChem CID	94996
CAS	1219-99-4
Molecular Weight (g/mol)	281.14
MDL Number	MFCD00018541
SMILES	ClC1=CC=C(NC(=O)NC2=CC=C(Cl)C=C2)C=C1
IUPAC Name	1,3-bis(4-chlorophenyl)urea
InChI Key	ZNQCSLYENQIUMJ-UHFFFAOYSA-N
Molecular Formula	C13H10Cl2N2O

8,425

4-Chloro-3-nitrobenzamide 98.0+%, TCI America™

CAS: 16588-06-0 Molecular Formula: C7H5ClN2O3 Molecular Weight (g/mol): 200.578 MDL Number: MFCD00017134 InChI Key: CGXRJCDXGJRBHV-UHFFFAOYSA-N PubChem CID: 27942 IUPAC Name: 4-chloro-3-nitrobenzamide SMILES: C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])Cl

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Specifications

PubChem CID	27942
CAS	16588-06-0
Molecular Weight (g/mol)	200.578
MDL Number	MFCD00017134
SMILES	C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])Cl
IUPAC Name	4-chloro-3-nitrobenzamide
InChI Key	CGXRJCDXGJRBHV-UHFFFAOYSA-N
Molecular Formula	C7H5ClN2O3

8,426

4-Propoxybenzoic Acid 98.0+%, TCI America™

CAS: 5438-19-7 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00013989 InChI Key: GDFUWFOCYZZGQU-UHFFFAOYSA-N Synonym: p-propoxybenzoic acid,4-n-propoxybenzoic acid,benzoic acid, 4-propoxy,4-n-propyloxybenzoic acid,4-propoxy-benzoic acid,benzoic acid, p-propoxy,p-propyloxybenzoic acid,pubchem2681,4-propoxy benzoic acid,p-carboxyphenoxy propane PubChem CID: 138500 IUPAC Name: 4-propoxybenzoic acid SMILES: CCCOC1=CC=C(C=C1)C(O)=O

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Specifications

PubChem CID	138500
CAS	5438-19-7
Molecular Weight (g/mol)	180.20
MDL Number	MFCD00013989
SMILES	CCCOC1=CC=C(C=C1)C(O)=O
Synonym	p-propoxybenzoic acid,4-n-propoxybenzoic acid,benzoic acid, 4-propoxy,4-n-propyloxybenzoic acid,4-propoxy-benzoic acid,benzoic acid, p-propoxy,p-propyloxybenzoic acid,pubchem2681,4-propoxy benzoic acid,p-carboxyphenoxy propane
IUPAC Name	4-propoxybenzoic acid
InChI Key	GDFUWFOCYZZGQU-UHFFFAOYSA-N
Molecular Formula	C10H12O3

8,427

Verbascoside 97.0+%, TCI America™

CAS: 61276-17-3 Molecular Formula: C29H36O15 Molecular Weight (g/mol): 624.59 MDL Number: MFCD00221751,MFCD00221751 InChI Key: FBSKJMQYURKNSU-ZLSOWSIRSA-N Synonym: Acteoside, Kusaginin, 2-(3,4-Dihydroxyphenyl)ethyl 3-O-(6-Deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside PubChem CID: 45358104 IUPAC Name: (2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCC3=CC=C(O)C(O)=C3)O[C@H](CO)[C@H]2OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O

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Specifications

PubChem CID	45358104
CAS	61276-17-3
Molecular Weight (g/mol)	624.59
MDL Number	MFCD00221751,MFCD00221751
SMILES	C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCC3=CC=C(O)C(O)=C3)O[C@H](CO)[C@H]2OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O
Synonym	Acteoside, Kusaginin, 2-(3,4-Dihydroxyphenyl)ethyl 3-O-(6-Deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside
IUPAC Name	(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI Key	FBSKJMQYURKNSU-ZLSOWSIRSA-N
Molecular Formula	C29H36O15

8,428

N-Benzyl-N-nitroso-p-toluenesulfonamide 98.0+%, TCI America™

CAS: 33528-13-1 Molecular Formula: C14H14N2O3S Molecular Weight (g/mol): 290.337 MDL Number: MFCD00216617 InChI Key: ZXELPGWSCCGNDS-UHFFFAOYSA-N PubChem CID: 4118076 IUPAC Name: N-benzyl-4-methyl-N-nitrosobenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)N=O

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Specifications

PubChem CID	4118076
CAS	33528-13-1
Molecular Weight (g/mol)	290.337
MDL Number	MFCD00216617
SMILES	CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)N=O
IUPAC Name	N-benzyl-4-methyl-N-nitrosobenzenesulfonamide
InChI Key	ZXELPGWSCCGNDS-UHFFFAOYSA-N
Molecular Formula	C14H14N2O3S

8,429

Atipamezole Hydrochloride 98.0+%, TCI America™

CAS: 104075-48-1 Molecular Formula: C14H17ClN2 Molecular Weight (g/mol): 248.75 MDL Number: MFCD06407819 InChI Key: PCCVCJAQMHDWJY-UHFFFAOYSA-N Synonym: atipamezole hydrochloride,atipamezole hcl,1h-imidazole, 4-2-ethyl-2,3-dihydro-1h-inden-2-yl-, monohydrochloride,4-2-ethyl-2,3-dihydro-1h-inden-2-yl-1h-imidazole hydrochloride,5-2-ethyl-2,3-dihydro-1h-inden-2-yl-1h-imidazole hydrochloride,pubchem21910,mpv1248 hydrochloride,mpv 1248 hydrochloride,mpv-1248 hydrochloride PubChem CID: 13649426 IUPAC Name: 5-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-1H-imidazole hydrochloride SMILES: Cl.CCC1(CC2=CC=CC=C2C1)C1=CN=CN1

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Specifications

PubChem CID	13649426
CAS	104075-48-1
Molecular Weight (g/mol)	248.75
MDL Number	MFCD06407819
SMILES	Cl.CCC1(CC2=CC=CC=C2C1)C1=CN=CN1
Synonym	atipamezole hydrochloride,atipamezole hcl,1h-imidazole, 4-2-ethyl-2,3-dihydro-1h-inden-2-yl-, monohydrochloride,4-2-ethyl-2,3-dihydro-1h-inden-2-yl-1h-imidazole hydrochloride,5-2-ethyl-2,3-dihydro-1h-inden-2-yl-1h-imidazole hydrochloride,pubchem21910,mpv1248 hydrochloride,mpv 1248 hydrochloride,mpv-1248 hydrochloride
IUPAC Name	5-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-1H-imidazole hydrochloride
InChI Key	PCCVCJAQMHDWJY-UHFFFAOYSA-N
Molecular Formula	C14H17ClN2

8,430

2-Bromophenylacetone 98.0+%, TCI America™

CAS: 21906-31-0 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.074 InChI Key: TZIAZLUAMDLDJF-UHFFFAOYSA-N Synonym: 2-bromophenylacetone,1-2-bromophenyl propan-2-one,2-bromophenyl acetone,1-2-bromophenyl-2-propanone,1-acetonyl-2-bromobenzene,2-propanone, 1-2-bromophenyl,o-bromo benyl methyl ketone,1-2-bromophenyl acetone,o-bromo benzyl methyl ketone,pubchem23388 PubChem CID: 2734092 IUPAC Name: 1-(2-bromophenyl)propan-2-one SMILES: CC(=O)CC1=CC=CC=C1Br

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Specifications

PubChem CID	2734092
CAS	21906-31-0
Molecular Weight (g/mol)	213.074
SMILES	CC(=O)CC1=CC=CC=C1Br
Synonym	2-bromophenylacetone,1-2-bromophenyl propan-2-one,2-bromophenyl acetone,1-2-bromophenyl-2-propanone,1-acetonyl-2-bromobenzene,2-propanone, 1-2-bromophenyl,o-bromo benyl methyl ketone,1-2-bromophenyl acetone,o-bromo benzyl methyl ketone,pubchem23388
IUPAC Name	1-(2-bromophenyl)propan-2-one
InChI Key	TZIAZLUAMDLDJF-UHFFFAOYSA-N
Molecular Formula	C9H9BrO

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