Basic information
- CAS
5468-44-0- Standard SMILES
C=C(c1ccccc1)[N+](=O)[O-]- InChIKey
YMXDOZWKTUBYLU-UHFFFAOYSA-N- Molecular formula
- C8H7NO2
- Average molar mass
- 149.15 g/mol
- Monoisotopic mass
- 149.04767847
Names & identifiers
- Preferred name
- (1-Nitroethenyl)benzene
- IUPAC
- 1-nitroethenylbenzene
- English name
- α-Nitrostyrene
- Molecular formula
- C8H7NO2
- Molecular weight
- 149.15
Names & synonyms
Styrene, alpha-nitro-Benzene, (1-nitroethenyl)-5468-44-0DTXSID00203135(1-Nitroethenyl)benzeneRefChem:1049305DTXCID00125626alpha-Nitrostyrene1-Nitro-1-phenylethyleneACP2SW5PWRNSC-11453NSC 11453
Show more names
(1-Nitrovinyl)benzene1-(1-Nitrovinyl)benzene
BRN 2325746UNII-ACP2SW5PWRStyrene, .alpha.-nitro-WLN: WNYR&U1(1-Nitroethen-1-yl)benzeneSCHEMBL4374315SCHEMBL8975408SCHEMBL9329292
Database identifiers
- CAS
5468-44-0- PubChem CID
- 79604
- DTXSID
DTXSID00203135- UNII
- ACP2SW5PWR
- Nikkaji
- J49.496H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 261.7 · 261.7±19.0 °C(Predicted)
- Density
- 1.134 · 1.134±0.06 g/cm3(Predicted)
- FDA UNII
- 2 SW5PWR · ACP2SW5PWR
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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