p-Nitrocinnamonitrile
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Basic information
- CAS
27892-88-2- Standard SMILES
N#CC=Cc1ccc([N+](=O)[O-])cc1- InChIKey
HLFGEWUHBJJYKR-UHFFFAOYSA-N- Molecular formula
- C9H6N2O2
- Average molar mass
- 174.16 g/mol
- Monoisotopic mass
- 174.04292743
Names & identifiers
- Preferred name
- p-Nitrocinnamonitrile
- IUPAC
- 3-(4-nitrophenyl)prop-2-enenitrile
- English name
- 4-Nitrocinnamonitrile
- Molecular formula
- C9H6N2O2
- Molecular weight
- 174.16
Names & synonyms
p-Nitrocinnamonitrile4-nitro-cinnamonitrile3-(4-nitrophenyl)prop-2-enenitrile3-(4-Nitrophenyl)-2-propenenitrileSCHEMBL31300643-(4-nitrophenyl)-acrylonitrileHLFGEWUHBJJYKR-UHFFFAOYSA-NDTXSID401295644AKOS0172697394-Nitrocinnamonitrile2-Propenenitrile, 3-(4-nitrophenyl)-
Database identifiers
- CAS
27892-88-2- PubChem CID
- 34056
- DTXSID
DTXSID401295644
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Melting point
- 202 °C · 202 °C
- Boiling point
- 315.1 · 315.1±17.0 °C(Predicted)
- Density
- 1.284 · 1.284±0.06 g/cm3(Predicted)
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Related reactions
8 records
Compound notes
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