ChemSpider 2D Image | 4-Benzoyl-2-nitrobenzonitrile | C14H8N2O3

4-Benzoyl-2-nitrobenzonitrile

  • Molecular FormulaC14H8N2O3
  • Average mass252.225 Da
  • Monoisotopic mass252.053497 Da
  • ChemSpider ID26468085

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4-cyano-3-nitrophenyl)phenylmethanone
4-Benzoyl-2-nitrobenzonitril [German] [ACD/IUPAC Name]
4-Benzoyl-2-nitrobenzonitrile [ACD/IUPAC Name]
4-Benzoyl-2-nitrobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-benzoyl-2-nitro- [ACD/Index Name]
MFCD09999826

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 467.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 236.3±27.3 °C
Index of Refraction: 1.641
Molar Refractivity: 66.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 57.07
ACD/KOC (pH 5.5): 629.30
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 57.07
ACD/KOC (pH 7.4): 629.30
Polar Surface Area: 87 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 185.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement