ChemSpider 2D Image | 2-[3-(4-Fluorophenyl)propanoyl]benzonitrile | C16H12FNO

2-[3-(4-Fluorophenyl)propanoyl]benzonitrile

  • Molecular FormulaC16H12FNO
  • Average mass253.271 Da
  • Monoisotopic mass253.090286 Da
  • ChemSpider ID21400905

More details:

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

2-[3-(4-Fluorophenyl)propanoyl]benzonitrile [ACD/IUPAC Name]
2-[3-(4-Fluorophényl)propanoyl]benzonitrile [French] [ACD/IUPAC Name]
2-[3-(4-Fluorphenyl)propanoyl]benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 2-[3-(4-fluorophenyl)-1-oxopropyl]- [ACD/Index Name]
2'-cyano-3-(4-fluorophenyl)propiophenone
2-cyano-3-(4-fluorophenyl)propiophenone
898767-96-9 [RN]
MFCD03843562 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 426.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 211.8±25.9 °C
Index of Refraction: 1.579
Molar Refractivity: 70.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 180.43
ACD/KOC (pH 5.5): 1434.44
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 180.43
ACD/KOC (pH 7.4): 1434.44
Polar Surface Area: 41 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 211.0±5.0 cm3

Click to predict properties on the Chemicalize site


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