2-(4,5-Dimethoxy-2-nitrophenyl)-3-phenylprop-2-enenitrile
Basic information
- CAS
24443-38-7- Standard SMILES
COc1cc(C(C#N)=Cc2ccccc2)c([N+](=O)[O-])cc1OC- InChIKey
SCEGECHAONJIFZ-UHFFFAOYSA-N- Molecular formula
- C17H14N2O4
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.09535693
Names & identifiers
- Preferred name
- 2-(4,5-Dimethoxy-2-nitrophenyl)-3-phenylprop-2-enenitrile
- IUPAC
- 2-(4,5-dimethoxy-2-nitrophenyl)-3-phenylprop-2-enenitrile
- English name
- 2-{2-nitro-4,5-dimethoxyphenyl}-3-phenylacrylonitrile
- Molecular formula
- C17H14N2O4
- Molecular weight
- 310.3
Names & synonyms
Oprea1_867031Acrylonitrile, 2-(4,5-dimethoxy-2-nitrophenyl)-3-phenyl-2-(4,5-dimethoxy-2-nitrophenyl)-3-phenylprop-2-enenitrileDTXSID20120058224443-38-72-{2-nitro-4,5-dimethoxyphenyl}-3-phenylacrylonitrile2-(4,5-DIMETHOXY-2-NITRO-PHENYL)-3-PHENYL-ACRYLONITRILE
Database identifiers
- CAS
24443-38-7- PubChem CID
- 678933
- DTXSID
DTXSID201200582
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 485
Physicochemical properties
- Melting point
- 196 · 196-197.5 °C(Solvent: Methanol)
- Boiling point
- 504.512 · 504.512±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.263 · 1.263±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Compound notes
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