Bromonitrostyrene, (Z)-

HCID 6508331

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Basic information

CAS: 18315-81-6
Standard SMILES: O=[N+]([O-])/C(Br)=C/c1ccccc1
InChIKey: SKDNDVDHYMEGNJ-SOFGYWHQSA-N
Molecular formula: C8H6BrNO2
Average molar mass: 228.04 g/mol
Monoisotopic mass: 226.95819

Overview

See also: beta-Bromo-beta-nitrostyrene (annotation moved to).

Names & identifiers

Preferred name: Bromonitrostyrene, (Z)-
IUPAC: [(Z)-2-bromo-2-nitroethenyl]benzene

Names & synonyms

Bromonitrostyrene, (Z)-S9XA2L7QIABenzene, ((1Z)-2-bromo-2-nitroethenyl)-Benzene, (2-bromo-2-nitroethenyl)-, (Z)-18315-81-6RefChem:1080184[(Z)-2-bromo-2-nitroethenyl]benzeneUNII-S9XA2L7QIA(2-Bromo-2-nitrovinyl)benzeneCHEMBL47528121-bromo-1-nitro-2-phenylethene(Z)-bromonitrostyrene

Show more names

[(1Z)-2-Bromo-2-nitroethenyl]benzeneSCHEMBL2820854DTXSID80860003SKDNDVDHYMEGNJ-SOFGYWHQSA-NBDBM50561078[(Z)-2-bromo-2-nitro-vinyl]-benzene[(Z)-2-Bromo-2-nitroethen-1-yl]benzeneNS00100322

Database identifiers

CAS: 18315-81-6
PubChem CID: 6508331
DTXSID: DTXSID80860003
ChEMBL: CHEMBL4752812
UNII: S9XA2L7QIA
Nikkaji: J518.196H、J8.901J

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 192

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