C1=CC=C(C=C1)C=C[N+](=O)[O-]
CAS: 102-96-5
Name: 2-nitroethenylbenzene
SMILES: C1=CC=C(C=C1)C=C[N+](=O)[O-]

Molecular Processing

Molecular formula
C8H7NO2
Molecular weight
149.15
Exact mass
149.0477
XLogP
1.93
TPSA
43.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
42.47

Supplementary Information

InChIKey: PIAOLBVUVDXHHL-UHFFFAOYSA-N
Synonyme
DTXSID0025789nitrostyrolStyrene, beta-nitro-DTXCID3028130RefChem:567930203-066-01-nitro-2-phenylethylene1-Phenyl-2-nitroethene102-96-5Benzene, (2-nitroethenyl)-Beta-NitrostyreneNCI-C02211(2-nitro-vinyl)-benzene1-(2-nitrovinyl)benzenePIAOLBVUVDXHHL-UHFFFAOYSA-N2-nitrovinylbenzene2-phenylnitroetheneSCHEMBL30591(2-Nitroethen-1-yl)benzeneSCHEMBL4230868SCHEMBL6041105SCHEMBL6041106CHEMBL3187573SCHEMBL11858113AKOS030228743SY226816DB-051980DB-126253F869080
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