ChemSpider 2D Image | 3-Fluoro-4-[(2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]benzonitrile | C15H9FN2O2

3-Fluoro-4-[(2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]benzonitrile

  • Molecular FormulaC15H9FN2O2
  • Average mass268.243 Da
  • Monoisotopic mass268.064819 Da
  • ChemSpider ID24200077

More details:

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

3-Fluor-4-[(2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]benzonitril [German] [ACD/IUPAC Name]
3-Fluoro-4-[(2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]benzonitrile [ACD/IUPAC Name]
3-Fluoro-4-[(2-oxo-1,3-benzoxazol-3(2H)-yl)méthyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-fluoro-4-[(2-oxo-3(2H)-benzoxazolyl)methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 442.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 221.1±31.5 °C
Index of Refraction: 1.656
Molar Refractivity: 69.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 64.36
ACD/KOC (pH 5.5): 685.87
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 64.36
ACD/KOC (pH 7.4): 685.87
Polar Surface Area: 53 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 188.0±5.0 cm3

Click to predict properties on the Chemicalize site


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