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1-ethenyl-4-nitrobenzene

1-ethenyl-4-nitrobenzene

CAS: 100-13-0

Formula: C8H7NO2

SMILES: [O-][N+](=O)C1=CC=C(C=C)C=C1

IUPAC: 1-ethenyl-4-nitrobenzene

InChI: InChI=1S/C8H7NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2

Composition: C (64.42%), H (4.73%), N (9.39%), O (21.45%)

Molar Mass: 149.149

Atom Count: 18

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 149.047678469
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey YFZHODLXYNDBSM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.06
Topological Polar Surface Area 43.14
Polarizability 15.62
Ring Count 1
Rotatable Bond Count 2

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