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.

5,011 – 5,025 of 73,813 results

5,011

6-Methoxy-8-nitroquinoline, 99%, Thermo Scientific™

CAS: 85-81-4 Molecular Formula: C₁₀H₈N₂O₃ Molecular Weight (g/mol): 204.18 MDL Number: MFCD00006802 InChI Key: MIMUSZHMZBJBPO-UHFFFAOYSA-N Synonym: quinoline, 6-methoxy-8-nitro,6-methoxy-8-nitro-quinoline,8-nitro-6-methoxyquinoline,methyl 8-nitro-6-quinolyl ether,unii-ats412o1xo,ats412o1xo,pubchem9433,acmc-209q7l,5-21-03-00248 beilstein handbook reference,ksc655o7n PubChem CID: 6822 IUPAC Name: 6-methoxy-8-nitroquinoline SMILES: COC1=CC(=C2C(=C1)C=CC=N2)[N+](=O)[O-]

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Specifications

PubChem CID	6822
CAS	85-81-4
Molecular Weight (g/mol)	204.18
MDL Number	MFCD00006802
SMILES	COC1=CC(=C2C(=C1)C=CC=N2)[N+](=O)[O-]
Synonym	quinoline, 6-methoxy-8-nitro,6-methoxy-8-nitro-quinoline,8-nitro-6-methoxyquinoline,methyl 8-nitro-6-quinolyl ether,unii-ats412o1xo,ats412o1xo,pubchem9433,acmc-209q7l,5-21-03-00248 beilstein handbook reference,ksc655o7n
IUPAC Name	6-methoxy-8-nitroquinoline
InChI Key	MIMUSZHMZBJBPO-UHFFFAOYSA-N
Molecular Formula	C₁₀H₈N₂O₃

5,012

3-[4-(Bromomethyl)phenyl]-5-methyl-1,2,4-oxadiazole 97+%, Thermo Scientific™

CAS: 256956-42-0 Molecular Formula: C10H9BrN2O Molecular Weight (g/mol): 253.099 InChI Key: BMXSEDLZMUPKSH-UHFFFAOYSA-N Synonym: 3-4-bromomethyl phenyl-5-methyl-1,2,4-oxadiazole,1,2,4-oxadiazole, 3-4-bromomethyl phenyl-5-methyl,1,2,4-oxadiazole,3-4-bromomethyl phenyl-5-methyl,3-4-bromomethyl phenyl-5-methyl-1,2,4-oxadiazol PubChem CID: 7164590 IUPAC Name: 3-[4-(bromomethyl)phenyl]-5-methyl-1,2,4-oxadiazole SMILES: CC1=NC(=NO1)C2=CC=C(C=C2)CBr

Pricing & Availability
Specifications

PubChem CID	7164590
CAS	256956-42-0
Molecular Weight (g/mol)	253.099
SMILES	CC1=NC(=NO1)C2=CC=C(C=C2)CBr
Synonym	3-4-bromomethyl phenyl-5-methyl-1,2,4-oxadiazole,1,2,4-oxadiazole, 3-4-bromomethyl phenyl-5-methyl,1,2,4-oxadiazole,3-4-bromomethyl phenyl-5-methyl,3-4-bromomethyl phenyl-5-methyl-1,2,4-oxadiazol
IUPAC Name	3-[4-(bromomethyl)phenyl]-5-methyl-1,2,4-oxadiazole
InChI Key	BMXSEDLZMUPKSH-UHFFFAOYSA-N
Molecular Formula	C10H9BrN2O

5,013

3,5-Dinitrosalicylic acid, 97+%

CAS: 609-99-4 Molecular Formula: C7H4N2O7 Molecular Weight (g/mol): 228.116 MDL Number: MFCD00007104 InChI Key: LWFUFLREGJMOIZ-UHFFFAOYSA-N Synonym: 3,5-dinitrosalicylic acid,2-hydroxy-3,5-dinitrobenzoic acid,3,5-dinitro-2-hydroxybenzoic acid,3,5-dinitrosalicylate,benzoic acid, 2-hydroxy-3,5-dinitro,salicylic acid, 3,5-dinitro,dnsa,o-dncp,o-dinitrocarboxylphenol,3,5-dinitro-2-salicylic acid PubChem CID: 11873 ChEBI: CHEBI:53648 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)O)[N+](=O)[O-]

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Specifications

PubChem CID	11873
CAS	609-99-4
Molecular Weight (g/mol)	228.116
ChEBI	CHEBI:53648
MDL Number	MFCD00007104
SMILES	C1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)O)[N+](=O)[O-]
Synonym	3,5-dinitrosalicylic acid,2-hydroxy-3,5-dinitrobenzoic acid,3,5-dinitro-2-hydroxybenzoic acid,3,5-dinitrosalicylate,benzoic acid, 2-hydroxy-3,5-dinitro,salicylic acid, 3,5-dinitro,dnsa,o-dncp,o-dinitrocarboxylphenol,3,5-dinitro-2-salicylic acid
InChI Key	LWFUFLREGJMOIZ-UHFFFAOYSA-N
Molecular Formula	C7H4N2O7

5,014

3-Methoxyphenylacetic acid, 97%

CAS: 1798-09-0 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00004334 InChI Key: LEGPZHPSIPPYIO-UHFFFAOYSA-N Synonym: 3-methoxyphenylacetic acid,2-3-methoxyphenyl acetic acid,m-methoxyphenylacetic acid,3-methoxyphenyl acetic acid,3-methoxybenzeneacetic acid,benzeneacetic acid, 3-methoxy,acetic acid, m-methoxyphenyl,unii-25xlo0t6my,3-methoxy-phenyl-acetic acid,25xlo0t6my PubChem CID: 15719 IUPAC Name: 2-(3-methoxyphenyl)acetic acid SMILES: COC1=CC=CC(=C1)CC(=O)O

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Specifications

PubChem CID	15719
CAS	1798-09-0
Molecular Weight (g/mol)	166.176
MDL Number	MFCD00004334
SMILES	COC1=CC=CC(=C1)CC(=O)O
Synonym	3-methoxyphenylacetic acid,2-3-methoxyphenyl acetic acid,m-methoxyphenylacetic acid,3-methoxyphenyl acetic acid,3-methoxybenzeneacetic acid,benzeneacetic acid, 3-methoxy,acetic acid, m-methoxyphenyl,unii-25xlo0t6my,3-methoxy-phenyl-acetic acid,25xlo0t6my
IUPAC Name	2-(3-methoxyphenyl)acetic acid
InChI Key	LEGPZHPSIPPYIO-UHFFFAOYSA-N
Molecular Formula	C9H10O3

5,015

(S)-(-)-3,3'-Di-tert-butyl-5,5',6,6'-tetramethylbiphenyl-2,2'-diol, 99%

CAS: 205927-03-3 Molecular Formula: C24H34O2 Molecular Weight (g/mol): 354.53 MDL Number: MFCD01862439 InChI Key: NMVVBVMYPLMIOU-UHFFFAOYSA-N Synonym: 3,3'-di-tert-butyl-5,5',6,6'-tetramethyl-1,1'-biphenyl-2,2'-diol,5,5',6,6'-tetramethyl-3,3'-di-tert-butyl-1,1'-biphenyl-2,2'-diol,3,3'-di-t-butyl-5,5',6,6'-tetramethyl-1,1'-biphenyl-2,2'-diol,s---3,3'-di-tert-butyl-5,5',6,6'-tetramethylbiphenyl-2,2'-diol,6-tert-butyl-2-3-tert-butyl-2-hydroxy-5,6-dimethylphenyl-3,4-dimethylphenol,2,2'-bi 6-tert-butyl-3,4-dimethylphenol,r-3,3'-di-tert-butyl-5,5',6,6'-tetramethylbiphenyl-2,2'-diol,s-3,3'-di-tert-butyl-5,5',6,6'-tetramethylbiphenyl-2,2'-diol,as-3,3'-di-tert-butyl-5,5',6,6'-tetramethylbiphenyl-2,2'-diol,s--5,5,6,6-tetramethyl-3,3-di-tert-butyl-1,1-biphenyl-2,2-diol PubChem CID: 3255344 IUPAC Name: 6-tert-butyl-2-(3-tert-butyl-2-hydroxy-5,6-dimethylphenyl)-3,4-dimethylphenol SMILES: CC1=CC(=C(O)C(=C1C)C1=C(C)C(C)=CC(=C1O)C(C)(C)C)C(C)(C)C

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Specifications

PubChem CID	3255344
CAS	205927-03-3
Molecular Weight (g/mol)	354.53
MDL Number	MFCD01862439
SMILES	CC1=CC(=C(O)C(=C1C)C1=C(C)C(C)=CC(=C1O)C(C)(C)C)C(C)(C)C
Synonym	3,3'-di-tert-butyl-5,5',6,6'-tetramethyl-1,1'-biphenyl-2,2'-diol,5,5',6,6'-tetramethyl-3,3'-di-tert-butyl-1,1'-biphenyl-2,2'-diol,3,3'-di-t-butyl-5,5',6,6'-tetramethyl-1,1'-biphenyl-2,2'-diol,s---3,3'-di-tert-butyl-5,5',6,6'-tetramethylbiphenyl-2,2'-diol,6-tert-butyl-2-3-tert-butyl-2-hydroxy-5,6-dimethylphenyl-3,4-dimethylphenol,2,2'-bi 6-tert-butyl-3,4-dimethylphenol,r-3,3'-di-tert-butyl-5,5',6,6'-tetramethylbiphenyl-2,2'-diol,s-3,3'-di-tert-butyl-5,5',6,6'-tetramethylbiphenyl-2,2'-diol,as-3,3'-di-tert-butyl-5,5',6,6'-tetramethylbiphenyl-2,2'-diol,s--5,5,6,6-tetramethyl-3,3-di-tert-butyl-1,1-biphenyl-2,2-diol
IUPAC Name	6-tert-butyl-2-(3-tert-butyl-2-hydroxy-5,6-dimethylphenyl)-3,4-dimethylphenol
InChI Key	NMVVBVMYPLMIOU-UHFFFAOYSA-N
Molecular Formula	C24H34O2

5,016

Di-n-hexyl phthalate, 97%, Thermo Scientific Chemicals

CAS: 84-75-3 Molecular Formula: C20H30O4 Molecular Weight (g/mol): 334.46 MDL Number: MFCD00043720 InChI Key: KCXZNSGUUQJJTR-UHFFFAOYSA-N Synonym: dihexyl phthalate,di-n-hexyl phthalate,di-n-hexylphthalate,phthalic acid, dihexyl ester,1,2-benzenedicarboxylic acid, dihexyl ester,phthalic acid di-n-hexyl ester,phthalic acid dihexyl ester,n-dihexyl phthalate,bis n-hexyl phthalate,dihexyl 1,2-benzenedicarboxylate PubChem CID: 6786 ChEBI: CHEBI:34678 IUPAC Name: dihexyl benzene-1,2-dicarboxylate SMILES: CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC

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Specifications

PubChem CID	6786
CAS	84-75-3
Molecular Weight (g/mol)	334.46
ChEBI	CHEBI:34678
MDL Number	MFCD00043720
SMILES	CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC
Synonym	dihexyl phthalate,di-n-hexyl phthalate,di-n-hexylphthalate,phthalic acid, dihexyl ester,1,2-benzenedicarboxylic acid, dihexyl ester,phthalic acid di-n-hexyl ester,phthalic acid dihexyl ester,n-dihexyl phthalate,bis n-hexyl phthalate,dihexyl 1,2-benzenedicarboxylate
IUPAC Name	dihexyl benzene-1,2-dicarboxylate
InChI Key	KCXZNSGUUQJJTR-UHFFFAOYSA-N
Molecular Formula	C20H30O4

5,017

Honokiol, 98+%

CAS: 35354-74-6 Molecular Formula: C18H18O2 Molecular Weight (g/mol): 266.34 MDL Number: MFCD00016674 InChI Key: FVYXIJYOAGAUQK-UHFFFAOYSA-N Synonym: honokiol,5,3'-diallyl-2,4'-dihydroxybiphenyl,3,5'-diallyl-4,2'-dihydroxybiphenyl,unii-11513cco0n,chembl16901,3',5-diallyl-1,1'-biphenyl-2,4'-diol,4-allyl-2-3-allyl-4-hydroxy-phenyl phenol,3',5-diallyl-2,4'-biphenyldiol,3',5-diallylbiphenyl-2,4'-diol,5,3′-diallyl-2,4′-dihydroxydiphenyl PubChem CID: 72303 ChEBI: CHEBI:5759 IUPAC Name: 2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol SMILES: C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C

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Specifications

PubChem CID	72303
CAS	35354-74-6
Molecular Weight (g/mol)	266.34
ChEBI	CHEBI:5759
MDL Number	MFCD00016674
SMILES	C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C
Synonym	honokiol,5,3'-diallyl-2,4'-dihydroxybiphenyl,3,5'-diallyl-4,2'-dihydroxybiphenyl,unii-11513cco0n,chembl16901,3',5-diallyl-1,1'-biphenyl-2,4'-diol,4-allyl-2-3-allyl-4-hydroxy-phenyl phenol,3',5-diallyl-2,4'-biphenyldiol,3',5-diallylbiphenyl-2,4'-diol,5,3′-diallyl-2,4′-dihydroxydiphenyl
IUPAC Name	2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
InChI Key	FVYXIJYOAGAUQK-UHFFFAOYSA-N
Molecular Formula	C18H18O2

5,018

Salicylamide, 99%

CAS: 65-45-2 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007978 InChI Key: SKZKKFZAGNVIMN-UHFFFAOYSA-N Synonym: salicylamide,o-hydroxybenzamide,benzamide, 2-hydroxy,salicylic acid amide,2-carbamoylphenol,flarpirina,morsarinas,algamon,algiamida,allevin PubChem CID: 5147 ChEBI: CHEBI:32114 IUPAC Name: 2-hydroxybenzamide SMILES: NC(=O)C1=CC=CC=C1O

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Specifications

PubChem CID	5147
CAS	65-45-2
Molecular Weight (g/mol)	137.14
ChEBI	CHEBI:32114
MDL Number	MFCD00007978
SMILES	NC(=O)C1=CC=CC=C1O
Synonym	salicylamide,o-hydroxybenzamide,benzamide, 2-hydroxy,salicylic acid amide,2-carbamoylphenol,flarpirina,morsarinas,algamon,algiamida,allevin
IUPAC Name	2-hydroxybenzamide
InChI Key	SKZKKFZAGNVIMN-UHFFFAOYSA-N
Molecular Formula	C7H7NO2

5,019

Cinnamonitrile, 97%, predominantly trans

CAS: 1885-38-7 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.162 MDL Number: MFCD00001930 InChI Key: ZWKNLRXFUTWSOY-QPJJXVBHSA-N Synonym: cinnamonitrile,trans-cinnamonitrile,styryl cyanide,cinnamyl nitrile,3-phenylacrylonitrile,beta-cyanostyrene,cinnamonitrile, e,3-phenyl-2-propenenitrile,acrylonitrile, 3-phenyl,e-3-phenylprop-2-enenitrile PubChem CID: 1550846 IUPAC Name: (E)-3-phenylprop-2-enenitrile SMILES: C1=CC=C(C=C1)C=CC#N

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Specifications

PubChem CID	1550846
CAS	1885-38-7
Molecular Weight (g/mol)	129.162
MDL Number	MFCD00001930
SMILES	C1=CC=C(C=C1)C=CC#N
Synonym	cinnamonitrile,trans-cinnamonitrile,styryl cyanide,cinnamyl nitrile,3-phenylacrylonitrile,beta-cyanostyrene,cinnamonitrile, e,3-phenyl-2-propenenitrile,acrylonitrile, 3-phenyl,e-3-phenylprop-2-enenitrile
IUPAC Name	(E)-3-phenylprop-2-enenitrile
InChI Key	ZWKNLRXFUTWSOY-QPJJXVBHSA-N
Molecular Formula	C9H7N

5,020

Thermo Scientific Chemicals Xylometazoline hydrochloride, 99%

CAS: 1218-35-5 Molecular Formula: C₁₆H₂₄N₂·HCL Molecular Weight (g/mol): 280.84 InChI Key: YGWFCQYETHJKNX-UHFFFAOYSA-N Synonym: xylometazoline hydrochloride,xylometazoline hcl,2-4-tert-butyl-2,6-dimethylbenzyl-2-imidazoline hydrochloride,unii-x5s84033nz,dsstox_cid_25223,dsstox_rid_80760,dsstox_gsid_45223,2-4-tert-butyl-2,6-dimethyl-phenyl methyl-4,5-dihydro-1h-imidazole hydrochloride,2-4-tert-butyl-2,6-dimethylphenyl methyl-4,5-dihydro-1h-imidazole hydrochloride PubChem CID: 5282386 IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride SMILES: CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C.Cl

Pricing & Availability
Specifications

PubChem CID	5282386
CAS	1218-35-5
Molecular Weight (g/mol)	280.84
SMILES	CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C.Cl
Synonym	xylometazoline hydrochloride,xylometazoline hcl,2-4-tert-butyl-2,6-dimethylbenzyl-2-imidazoline hydrochloride,unii-x5s84033nz,dsstox_cid_25223,dsstox_rid_80760,dsstox_gsid_45223,2-4-tert-butyl-2,6-dimethyl-phenyl methyl-4,5-dihydro-1h-imidazole hydrochloride,2-4-tert-butyl-2,6-dimethylphenyl methyl-4,5-dihydro-1h-imidazole hydrochloride
IUPAC Name	2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
InChI Key	YGWFCQYETHJKNX-UHFFFAOYSA-N
Molecular Formula	C₁₆H₂₄N₂·HCL

5,021

4-Benzylaniline, 98%

CAS: 1135-12-2 Molecular Formula: C13H13N Molecular Weight (g/mol): 183.254 MDL Number: MFCD00047861 InChI Key: WDTRNCFZFQIWLM-UHFFFAOYSA-N Synonym: 4-aminodiphenylmethane,benzenamine, 4-phenylmethyl,4-benzyl-phenylamine,4-benzylbenzenamine,4-benzylphenylamine,4-benzylaniline, hcl,4-benzyl aniline,4-benzyl-aniline,#,p-aminodiphenylmethan PubChem CID: 136914 IUPAC Name: 4-benzylaniline SMILES: C1=CC=C(C=C1)CC2=CC=C(C=C2)N

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Specifications

PubChem CID	136914
CAS	1135-12-2
Molecular Weight (g/mol)	183.254
MDL Number	MFCD00047861
SMILES	C1=CC=C(C=C1)CC2=CC=C(C=C2)N
Synonym	4-aminodiphenylmethane,benzenamine, 4-phenylmethyl,4-benzyl-phenylamine,4-benzylbenzenamine,4-benzylphenylamine,4-benzylaniline, hcl,4-benzyl aniline,4-benzyl-aniline,#,p-aminodiphenylmethan
IUPAC Name	4-benzylaniline
InChI Key	WDTRNCFZFQIWLM-UHFFFAOYSA-N
Molecular Formula	C13H13N

5,022

1-(4-Methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 187998-64-7 Molecular Formula: C12H12N2O3 Molecular Weight (g/mol): 232.239 MDL Number: MFCD02677745 InChI Key: JPFGKGZYCXLEGQ-UHFFFAOYSA-N PubChem CID: 2776133 IUPAC Name: 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylic acid SMILES: CC1=C(C=NN1C2=CC=C(C=C2)OC)C(=O)O

Pricing & Availability
Specifications

PubChem CID	2776133
CAS	187998-64-7
Molecular Weight (g/mol)	232.239
MDL Number	MFCD02677745
SMILES	CC1=C(C=NN1C2=CC=C(C=C2)OC)C(=O)O
IUPAC Name	1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylic acid
InChI Key	JPFGKGZYCXLEGQ-UHFFFAOYSA-N
Molecular Formula	C12H12N2O3

5,023

2,6-Difluorobenzaldehyde, 97%

CAS: 437-81-0 Molecular Formula: C7H4F2O Molecular Weight (g/mol): 142.105 MDL Number: MFCD00010293 InChI Key: SOWRUJSGHKNOKN-UHFFFAOYSA-N Synonym: 2,6-difluoro benzaldehyde,2,6-dfad,benzaldehyde, 2,6-difluoro,2,6-difluorobenzaledehyde,pubchem1438,2,6-difluorbenzaldehyde,2,6 difluorobenzaldehyde,acmc-1adi4,2, 6-difluorobenzaldehyde,2,6-difluoro-benzaldehyde PubChem CID: 136284 IUPAC Name: 2,6-difluorobenzaldehyde SMILES: C1=CC(=C(C(=C1)F)C=O)F

Pricing & Availability
Specifications

PubChem CID	136284
CAS	437-81-0
Molecular Weight (g/mol)	142.105
MDL Number	MFCD00010293
SMILES	C1=CC(=C(C(=C1)F)C=O)F
Synonym	2,6-difluoro benzaldehyde,2,6-dfad,benzaldehyde, 2,6-difluoro,2,6-difluorobenzaledehyde,pubchem1438,2,6-difluorbenzaldehyde,2,6 difluorobenzaldehyde,acmc-1adi4,2, 6-difluorobenzaldehyde,2,6-difluoro-benzaldehyde
IUPAC Name	2,6-difluorobenzaldehyde
InChI Key	SOWRUJSGHKNOKN-UHFFFAOYSA-N
Molecular Formula	C7H4F2O

5,024

2-Chloro-4,5-dimethylphenol, 98%, Thermo Scientific Chemicals

CAS: 1124-04-5 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.609 MDL Number: MFCD00002173 InChI Key: PSOJLBXHRBFLLQ-UHFFFAOYSA-N Synonym: banol phenol,phenol, 2-chloro-4,5-dimethyl,2-chloro-4,5-xylenol,6-chloro-3,4-xylenol,3,4-dimethyl-6-chlorophenol,3,4-xylenol, 6-chloro,acmc-20anzv,3, 6-chloro,dsstox_cid_21404,dsstox_rid_79715 PubChem CID: 70754 IUPAC Name: 2-chloro-4,5-dimethylphenol SMILES: CC1=CC(=C(C=C1C)Cl)O

Pricing & Availability
Specifications

PubChem CID	70754
CAS	1124-04-5
Molecular Weight (g/mol)	156.609
MDL Number	MFCD00002173
SMILES	CC1=CC(=C(C=C1C)Cl)O
Synonym	banol phenol,phenol, 2-chloro-4,5-dimethyl,2-chloro-4,5-xylenol,6-chloro-3,4-xylenol,3,4-dimethyl-6-chlorophenol,3,4-xylenol, 6-chloro,acmc-20anzv,3, 6-chloro,dsstox_cid_21404,dsstox_rid_79715
IUPAC Name	2-chloro-4,5-dimethylphenol
InChI Key	PSOJLBXHRBFLLQ-UHFFFAOYSA-N
Molecular Formula	C8H9ClO

5,025

3-Nitrostyrene, 97%, stabilized

CAS: 586-39-0 Molecular Formula: C₈H₇NO₂ Molecular Weight (g/mol): 149.15 MDL Number: MFCD00007276 InChI Key: SYZVQXIUVGKCBJ-UHFFFAOYSA-N Synonym: 3-nitrostyrene,1-nitro-3-vinylbenzene,m-nitrostyrene,benzene, 1-ethenyl-3-nitro,styrene, m-nitro,1-nitro-3-vinyl-benzene,3-nitrophenyl ethene,b-nitrostyrene,m-vinylnitrobenzene,3-ethenylnitrobenzene PubChem CID: 68514 IUPAC Name: 1-ethenyl-3-nitrobenzene SMILES: C=CC1=CC(=CC=C1)[N+](=O)[O-]

Pricing & Availability
Specifications

PubChem CID	68514
CAS	586-39-0
Molecular Weight (g/mol)	149.15
MDL Number	MFCD00007276
SMILES	C=CC1=CC(=CC=C1)[N+](=O)[O-]
Synonym	3-nitrostyrene,1-nitro-3-vinylbenzene,m-nitrostyrene,benzene, 1-ethenyl-3-nitro,styrene, m-nitro,1-nitro-3-vinyl-benzene,3-nitrophenyl ethene,b-nitrostyrene,m-vinylnitrobenzene,3-ethenylnitrobenzene
IUPAC Name	1-ethenyl-3-nitrobenzene
InChI Key	SYZVQXIUVGKCBJ-UHFFFAOYSA-N
Molecular Formula	C₈H₇NO₂

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