2-(2,4-Dichlorophenyl)-5-oxo-3,5-diphenylpentanenitrile
Basic information
- CAS
892157-08-3- Standard SMILES
N#CC(c1ccc(Cl)cc1Cl)C(CC(=O)c1ccccc1)c1ccccc1- InChIKey
XSJFRQQBUYAFHC-UHFFFAOYSA-N- Molecular formula
- C23H17Cl2NO
- Average molar mass
- 394.3 g/mol
- Monoisotopic mass
- 393.0687196
Names & identifiers
- Preferred name
- 2-(2,4-Dichlorophenyl)-5-oxo-3,5-diphenylpentanenitrile
- IUPAC
- 2-(2,4-dichlorophenyl)-5-oxo-3,5-diphenylpentanenitrile
- English name
- 2-(2,4-Dichlorophenyl)-5-oxo-3,5-diphenylpentanenitrile
- Molecular formula
- C23H17Cl2NO
- Molecular weight
- 394.29
Names & synonyms
2-(2,4-dichlorophenyl)-5-oxo-3,5-diphenylpentanenitrileAKOS024405693Benzenepentanenitrile, α-(2,4-dichlorophenyl)-δ-oxo-β-phenyl-
Database identifiers
- CAS
892157-08-3- PubChem CID
- 4334765
- EC Number
- 123-095-1
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 530
Physicochemical properties
- Boiling point
- 567.835 · 567.835±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.269 · 1.269±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Compound notes
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