ChemSpider 2D Image | 3'-cyano-3-(3-fluorophenyl)propiophenone | C16H12FNO

3'-cyano-3-(3-fluorophenyl)propiophenone

  • Molecular FormulaC16H12FNO
  • Average mass253.271 Da
  • Monoisotopic mass253.090286 Da
  • ChemSpider ID21400854

More details:

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

3-[3-(3-Fluorophenyl)-1-oxopropyl]benzonitrile
3-[3-(3-Fluorophenyl)propanoyl]benzonitrile [ACD/IUPAC Name]
3-[3-(3-Fluorophényl)propanoyl]benzonitrile [French] [ACD/IUPAC Name]
3-[3-(3-Fluorphenyl)propanoyl]benzonitril [German] [ACD/IUPAC Name]
3'-cyano-3-(3-fluorophenyl)propiophenone
898788-82-4 [RN]
Benzonitrile, 3-[3-(3-fluorophenyl)-1-oxopropyl]- [ACD/Index Name]
3-cyano-3-(3-fluorophenyl)propiophenone
MFCD03843511 [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: 416.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 205.5±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: 3.38
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 201.41
ACD/KOC (pH 5.5): 1551.92
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 201.41
ACD/KOC (pH 7.4): 1551.92
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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