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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10,201 – 10,215 of 109,034 results

10,201

4',7-Dimethoxyisoflavone 97.0+%, TCI America™

CAS: 1157-39-7 Molecular Formula: C17H14O4 Molecular Weight (g/mol): 282.295 MDL Number: MFCD00075889 InChI Key: LPNBCGIVZXHHHO-UHFFFAOYSA-N Synonym: 4',7-dimethoxyisoflavone,7,4'-dimethoxyisoflavone,7-methoxy-3-4-methoxyphenyl-4h-chromen-4-one,7,4'-di-o-methyldaidzein,unii-f5547dw3co,7-methoxy-3-4-methoxyphenyl chromen-4-one,daidzein dimethyl ether,spectrum_000697,specplus_000113,spectrum2_000185 PubChem CID: 136419 IUPAC Name: 7-methoxy-3-(4-methoxyphenyl)chromen-4-one SMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC

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Specifications

PubChem CID	136419
CAS	1157-39-7
Molecular Weight (g/mol)	282.295
MDL Number	MFCD00075889
SMILES	COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC
Synonym	4',7-dimethoxyisoflavone,7,4'-dimethoxyisoflavone,7-methoxy-3-4-methoxyphenyl-4h-chromen-4-one,7,4'-di-o-methyldaidzein,unii-f5547dw3co,7-methoxy-3-4-methoxyphenyl chromen-4-one,daidzein dimethyl ether,spectrum_000697,specplus_000113,spectrum2_000185
IUPAC Name	7-methoxy-3-(4-methoxyphenyl)chromen-4-one
InChI Key	LPNBCGIVZXHHHO-UHFFFAOYSA-N
Molecular Formula	C17H14O4

10,202

4-Chloroanisole 98.0+%, TCI America™

CAS: 623-12-1 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.582 MDL Number: MFCD00000616 InChI Key: YRGAYAGBVIXNAQ-UHFFFAOYSA-N Synonym: 4-chloroanisole,benzene, 1-chloro-4-methoxy,p-chloroanisole,p-chlorophenyl methyl ether,anisyl chloride,anisole, p-chloro,p-chloromethoxybenzene,4-chlorophenol methyl ether,1-chloro-4-methoxy-benzene,unii-0f18bly08q PubChem CID: 12167 IUPAC Name: 1-chloro-4-methoxybenzene SMILES: COC1=CC=C(C=C1)Cl

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Specifications

PubChem CID	12167
CAS	623-12-1
Molecular Weight (g/mol)	142.582
MDL Number	MFCD00000616
SMILES	COC1=CC=C(C=C1)Cl
Synonym	4-chloroanisole,benzene, 1-chloro-4-methoxy,p-chloroanisole,p-chlorophenyl methyl ether,anisyl chloride,anisole, p-chloro,p-chloromethoxybenzene,4-chlorophenol methyl ether,1-chloro-4-methoxy-benzene,unii-0f18bly08q
IUPAC Name	1-chloro-4-methoxybenzene
InChI Key	YRGAYAGBVIXNAQ-UHFFFAOYSA-N
Molecular Formula	C7H7ClO

10,203

2-Fluoro-6-methoxybenzonitrile 98.0+%, TCI America™

CAS: 94088-46-7 Molecular Formula: C8H6FNO Molecular Weight (g/mol): 151.14 MDL Number: MFCD00042291 InChI Key: YPMSIWYNTPSPMV-UHFFFAOYSA-N Synonym: 2-cyano-3-fluoroanisole,benzonitrile, 2-fluoro-6-methoxy,6-fluoro-o-anisonitrile,2-fluoro-6-methoxybenzenecarbonitrile,buttpark 45\03-64,pubchem10117,acmc-209rov,ksc494m1p,2-fluoro-6-methoxycyanobenzene PubChem CID: 523101 IUPAC Name: 2-fluoro-6-methoxybenzonitrile SMILES: COC1=C(C(=CC=C1)F)C#N

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Specifications

PubChem CID	523101
CAS	94088-46-7
Molecular Weight (g/mol)	151.14
MDL Number	MFCD00042291
SMILES	COC1=C(C(=CC=C1)F)C#N
Synonym	2-cyano-3-fluoroanisole,benzonitrile, 2-fluoro-6-methoxy,6-fluoro-o-anisonitrile,2-fluoro-6-methoxybenzenecarbonitrile,buttpark 45\03-64,pubchem10117,acmc-209rov,ksc494m1p,2-fluoro-6-methoxycyanobenzene
IUPAC Name	2-fluoro-6-methoxybenzonitrile
InChI Key	YPMSIWYNTPSPMV-UHFFFAOYSA-N
Molecular Formula	C8H6FNO

10,204

3,5-Difluoroanisole 97.0+%, TCI America™

CAS: 93343-10-3 Molecular Formula: C7H6F2O Molecular Weight (g/mol): 144.12 MDL Number: MFCD00042560 InChI Key: OTGQPYSISUUHAF-UHFFFAOYSA-N Synonym: 3,5-difluoroanisole,3,5-difluoro-1-methoxybenzene,benzene, 1,3-difluoro-5-methoxy,1,3-difluoro-5-methoxy-benzene,3,5-difluoro anisole,3,5-difluoroanisol,3.5-difluoroanisole,pubchem1967,3,5-difluoroanisole;,3,5,-difluoroanisole; PubChem CID: 2724518 IUPAC Name: 1,3-difluoro-5-methoxybenzene SMILES: COC1=CC(F)=CC(F)=C1

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Specifications

PubChem CID	2724518
CAS	93343-10-3
Molecular Weight (g/mol)	144.12
MDL Number	MFCD00042560
SMILES	COC1=CC(F)=CC(F)=C1
Synonym	3,5-difluoroanisole,3,5-difluoro-1-methoxybenzene,benzene, 1,3-difluoro-5-methoxy,1,3-difluoro-5-methoxy-benzene,3,5-difluoro anisole,3,5-difluoroanisol,3.5-difluoroanisole,pubchem1967,3,5-difluoroanisole;,3,5,-difluoroanisole;
IUPAC Name	1,3-difluoro-5-methoxybenzene
InChI Key	OTGQPYSISUUHAF-UHFFFAOYSA-N
Molecular Formula	C7H6F2O

10,205

1-(2-Methoxyphenoxy)-2-propanol 90.0+%, TCI America™

CAS: 64120-49-6 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.219 MDL Number: MFCD00191539 InChI Key: CUJJTCXPBXHBTJ-UHFFFAOYSA-N Synonym: 2-(2-Hydroxypropoxy)anisole PubChem CID: 22036327 IUPAC Name: 1-(2-methoxyphenoxy)propan-2-ol SMILES: CC(COC1=CC=CC=C1OC)O

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Specifications

PubChem CID	22036327
CAS	64120-49-6
Molecular Weight (g/mol)	182.219
MDL Number	MFCD00191539
SMILES	CC(COC1=CC=CC=C1OC)O
Synonym	2-(2-Hydroxypropoxy)anisole
IUPAC Name	1-(2-methoxyphenoxy)propan-2-ol
InChI Key	CUJJTCXPBXHBTJ-UHFFFAOYSA-N
Molecular Formula	C10H14O3

10,206

3-Bromo-5-fluoroanisole 98.0+%, TCI America™

CAS: 29578-39-0 Molecular Formula: C7H6BrFO Molecular Weight (g/mol): 205.026 MDL Number: MFCD01861129 InChI Key: XVNQVSGOIUYOPB-UHFFFAOYSA-N Synonym: 1-Bromo-3-fluoro-5-methoxybenzene PubChem CID: 10822094 IUPAC Name: 1-bromo-3-fluoro-5-methoxybenzene SMILES: COC1=CC(=CC(=C1)Br)F

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Specifications

PubChem CID	10822094
CAS	29578-39-0
Molecular Weight (g/mol)	205.026
MDL Number	MFCD01861129
SMILES	COC1=CC(=CC(=C1)Br)F
Synonym	1-Bromo-3-fluoro-5-methoxybenzene
IUPAC Name	1-bromo-3-fluoro-5-methoxybenzene
InChI Key	XVNQVSGOIUYOPB-UHFFFAOYSA-N
Molecular Formula	C7H6BrFO

10,207

3-Ethoxy-4-methoxybenzonitrile 98.0+%, TCI America™

CAS: 60758-86-3 Molecular Formula: C10H11NO2 Molecular Weight (g/mol): 177.203 MDL Number: MFCD02256160 InChI Key: XTIINWPNAMHVDG-UHFFFAOYSA-N PubChem CID: 3934769 IUPAC Name: 3-ethoxy-4-methoxybenzonitrile SMILES: CCOC1=C(C=CC(=C1)C#N)OC

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Specifications

PubChem CID	3934769
CAS	60758-86-3
Molecular Weight (g/mol)	177.203
MDL Number	MFCD02256160
SMILES	CCOC1=C(C=CC(=C1)C#N)OC
IUPAC Name	3-ethoxy-4-methoxybenzonitrile
InChI Key	XTIINWPNAMHVDG-UHFFFAOYSA-N
Molecular Formula	C10H11NO2

10,208

2-Bromoanisole 98.0+%, TCI America™

CAS: 578-57-4 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.036 MDL Number: MFCD00000064 InChI Key: HTDQSWDEWGSAMN-UHFFFAOYSA-N Synonym: 2-bromoanisole,o-bromoanisole,benzene, 1-bromo-2-methoxy,2-methoxybromobenzene,o-anisyl bromide,anisole, o-bromo,o-methoxybromobenzene,2-bromoanisol,o-methoxyphenyl bromide,2-methoxyphenyl bromide PubChem CID: 11358 IUPAC Name: 1-bromo-2-methoxybenzene SMILES: COC1=CC=CC=C1Br

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Specifications

PubChem CID	11358
CAS	578-57-4
Molecular Weight (g/mol)	187.036
MDL Number	MFCD00000064
SMILES	COC1=CC=CC=C1Br
Synonym	2-bromoanisole,o-bromoanisole,benzene, 1-bromo-2-methoxy,2-methoxybromobenzene,o-anisyl bromide,anisole, o-bromo,o-methoxybromobenzene,2-bromoanisol,o-methoxyphenyl bromide,2-methoxyphenyl bromide
IUPAC Name	1-bromo-2-methoxybenzene
InChI Key	HTDQSWDEWGSAMN-UHFFFAOYSA-N
Molecular Formula	C7H7BrO

10,209

3,5-Di-tert-butylcatechol 98.0+%, TCI America™

CAS: 1020-31-1 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.328 MDL Number: MFCD00008819 InChI Key: PJZLSMMERMMQBJ-UHFFFAOYSA-N Synonym: 3,5-di-tert-butylcatechol,3,5-di-t-butylcatechol,3,5-di-tert-butylbenzene-1,2-diol,3,5-di-tert-butylpyrocatechol,1,2-benzenediol, 3,5-bis 1,1-dimethylethyl,4,6-di-tert-butylpyrocatechol,unii-1328kn3f8b,1,2-benzenediol, 3,5-di 1,1-dimethylethyl,pyrocatechol, 3,5-di-tert-butyl,3,5-bis tert-butyl benzene-1,2-diol PubChem CID: 66099 IUPAC Name: 3,5-ditert-butylbenzene-1,2-diol SMILES: CC(C)(C)C1=CC(=C(C(=C1)O)O)C(C)(C)C

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PubChem CID	66099
CAS	1020-31-1
Molecular Weight (g/mol)	222.328
MDL Number	MFCD00008819
SMILES	CC(C)(C)C1=CC(=C(C(=C1)O)O)C(C)(C)C
Synonym	3,5-di-tert-butylcatechol,3,5-di-t-butylcatechol,3,5-di-tert-butylbenzene-1,2-diol,3,5-di-tert-butylpyrocatechol,1,2-benzenediol, 3,5-bis 1,1-dimethylethyl,4,6-di-tert-butylpyrocatechol,unii-1328kn3f8b,1,2-benzenediol, 3,5-di 1,1-dimethylethyl,pyrocatechol, 3,5-di-tert-butyl,3,5-bis tert-butyl benzene-1,2-diol
IUPAC Name	3,5-ditert-butylbenzene-1,2-diol
InChI Key	PJZLSMMERMMQBJ-UHFFFAOYSA-N
Molecular Formula	C14H22O2

10,210

2-Bromophenylhydrazine Hydrochloride Hydrate 98.0+%, TCI America™

CAS: 50709-33-6 Molecular Formula: C6H8BrClN2 Molecular Weight (g/mol): 223.498 MDL Number: MFCD00012926 InChI Key: PHCYUJRYSFMJMG-UHFFFAOYSA-N Synonym: 2-bromophenylhydrazine hydrochloride,2-bromophenyl hydrazine hydrochloride,2-bromophenylhydrazine hcl,hydrazine, 2-bromophenyl-, monohydrochloride,1-2-bromophenyl hydrazine hydrochloride,1-bromo-2-hydrazino benzene hydrochloride,pubchem4463,acmc-1b1zz,ksc270g5h,2-bromophenylhydrazine, chloride PubChem CID: 2723912 IUPAC Name: (2-bromophenyl)hydrazine;hydrochloride SMILES: C1=CC=C(C(=C1)NN)Br.Cl

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Specifications

PubChem CID	2723912
CAS	50709-33-6
Molecular Weight (g/mol)	223.498
MDL Number	MFCD00012926
SMILES	C1=CC=C(C(=C1)NN)Br.Cl
Synonym	2-bromophenylhydrazine hydrochloride,2-bromophenyl hydrazine hydrochloride,2-bromophenylhydrazine hcl,hydrazine, 2-bromophenyl-, monohydrochloride,1-2-bromophenyl hydrazine hydrochloride,1-bromo-2-hydrazino benzene hydrochloride,pubchem4463,acmc-1b1zz,ksc270g5h,2-bromophenylhydrazine, chloride
IUPAC Name	(2-bromophenyl)hydrazine;hydrochloride
InChI Key	PHCYUJRYSFMJMG-UHFFFAOYSA-N
Molecular Formula	C6H8BrClN2

10,211

3-Chloro-5-(trifluoromethyl)benzonitrile 98.0+%, TCI America™

CAS: 693245-52-2 Molecular Formula: C8H3ClF3N Molecular Weight (g/mol): 205.56 MDL Number: MFCD04115854 InChI Key: RLHYYDKFOQSWIB-UHFFFAOYSA-N Synonym: 3-chloro-5-trifluoromethyl benzonitrile,5-chloro-3-cyanobenzotrifluoride,3-chloro-5-trifluoromethyl-benzonitrile,3-chloro-5-cyanobenzotrifluoride,benzonitrile, 3-chloro-5-trifluoromethyl,5-chloro-3-cyano benzotrifluoride,pubchem16810,5-chloro-3-trifluoromethyl benzenecarbonitrile PubChem CID: 4584933 IUPAC Name: 3-chloro-5-(trifluoromethyl)benzonitrile SMILES: FC(F)(F)C1=CC(Cl)=CC(=C1)C#N

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Specifications

PubChem CID	4584933
CAS	693245-52-2
Molecular Weight (g/mol)	205.56
MDL Number	MFCD04115854
SMILES	FC(F)(F)C1=CC(Cl)=CC(=C1)C#N
Synonym	3-chloro-5-trifluoromethyl benzonitrile,5-chloro-3-cyanobenzotrifluoride,3-chloro-5-trifluoromethyl-benzonitrile,3-chloro-5-cyanobenzotrifluoride,benzonitrile, 3-chloro-5-trifluoromethyl,5-chloro-3-cyano benzotrifluoride,pubchem16810,5-chloro-3-trifluoromethyl benzenecarbonitrile
IUPAC Name	3-chloro-5-(trifluoromethyl)benzonitrile
InChI Key	RLHYYDKFOQSWIB-UHFFFAOYSA-N
Molecular Formula	C8H3ClF3N

10,212

3-Bromo-5-hydroxybenzoic Acid 98.0+%, TCI America™

CAS: 140472-69-1 Molecular Formula: C7H5BrO3 Molecular Weight (g/mol): 217.018 MDL Number: MFCD06797980 InChI Key: WGIBEMRBLBGETQ-UHFFFAOYSA-N PubChem CID: 15735511 IUPAC Name: 3-bromo-5-hydroxybenzoic acid SMILES: C1=C(C=C(C=C1O)Br)C(=O)O

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Specifications

PubChem CID	15735511
CAS	140472-69-1
Molecular Weight (g/mol)	217.018
MDL Number	MFCD06797980
SMILES	C1=C(C=C(C=C1O)Br)C(=O)O
IUPAC Name	3-bromo-5-hydroxybenzoic acid
InChI Key	WGIBEMRBLBGETQ-UHFFFAOYSA-N
Molecular Formula	C7H5BrO3

10,213

Diethylstilbestrol 98.0+%, TCI America™

CAS: 6898-97-1 Molecular Formula: C18H20O2 Molecular Weight (g/mol): 268.36 MDL Number: MFCD00002373 InChI Key: RGLYKWWBQGJZGM-ISLYRVAYSA-N Synonym: Stilbestrol PubChem CID: 688057 IUPAC Name: 4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol SMILES: CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1

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Specifications

PubChem CID	688057
CAS	6898-97-1
Molecular Weight (g/mol)	268.36
MDL Number	MFCD00002373
SMILES	CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
Synonym	Stilbestrol
IUPAC Name	4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
InChI Key	RGLYKWWBQGJZGM-ISLYRVAYSA-N
Molecular Formula	C18H20O2

10,214

2,5-Diamino-1,4-benzenedithiol Dihydrochloride 97.0+%, TCI America™

CAS: 75464-52-7 Molecular Formula: C6H10Cl2N2S2 Molecular Weight (g/mol): 245.18 MDL Number: MFCD00142835 InChI Key: HVXLKRWRWNFGBA-UHFFFAOYSA-N Synonym: 2,5-Dimercapto-1,4-phenylenediamine Dihydrochloride PubChem CID: 14618269 IUPAC Name: 2,5-diaminobenzene-1,4-dithiol dihydrochloride SMILES: Cl.Cl.NC1=CC(S)=C(N)C=C1S

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Specifications

PubChem CID	14618269
CAS	75464-52-7
Molecular Weight (g/mol)	245.18
MDL Number	MFCD00142835
SMILES	Cl.Cl.NC1=CC(S)=C(N)C=C1S
Synonym	2,5-Dimercapto-1,4-phenylenediamine Dihydrochloride
IUPAC Name	2,5-diaminobenzene-1,4-dithiol dihydrochloride
InChI Key	HVXLKRWRWNFGBA-UHFFFAOYSA-N
Molecular Formula	C6H10Cl2N2S2

10,215

2,4-Dichlorobenzenethiol 97.0+%, TCI America™

CAS: 1122-41-4 Molecular Formula: C6H4Cl2S Molecular Weight (g/mol): 179.058 MDL Number: MFCD00041421 InChI Key: FGBVJFREPSJSNG-UHFFFAOYSA-N Synonym: 2,4-dichlorothiophenol,2,4-dichlorobenzene-1-thiol,benzenethiol, 2,4-dichloro,2,4-dichloro thiophenol,pubchem6798,2,4 dichlorothiophenol,acmc-1buvb,2,4-dichlorothio-phenol,2,4-dichloro-benzenethiol,# PubChem CID: 70730 IUPAC Name: 2,4-dichlorobenzenethiol SMILES: C1=CC(=C(C=C1Cl)Cl)S

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Specifications

PubChem CID	70730
CAS	1122-41-4
Molecular Weight (g/mol)	179.058
MDL Number	MFCD00041421
SMILES	C1=CC(=C(C=C1Cl)Cl)S
Synonym	2,4-dichlorothiophenol,2,4-dichlorobenzene-1-thiol,benzenethiol, 2,4-dichloro,2,4-dichloro thiophenol,pubchem6798,2,4 dichlorothiophenol,acmc-1buvb,2,4-dichlorothio-phenol,2,4-dichloro-benzenethiol,#
IUPAC Name	2,4-dichlorobenzenethiol
InChI Key	FGBVJFREPSJSNG-UHFFFAOYSA-N
Molecular Formula	C6H4Cl2S

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