ChemSpider 2D Image | 4'-{3-[(2S)-2-Oxiranyl]propoxy}-4-biphenylcarbonitrile | C18H17NO2

4'-{3-[(2S)-2-Oxiranyl]propoxy}-4-biphenylcarbonitrile

  • Molecular FormulaC18H17NO2
  • Average mass279.333 Da
  • Monoisotopic mass279.125916 Da
  • ChemSpider ID24729316

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[1,1'-Biphenyl]-4-carbonitrile, 4'-[3-[(2S)-oxiranyl]propoxy]- [ACD/Index Name]
4'-{3-[(2S)-2-Oxiranyl]propoxy}-4-biphenylcarbonitril [German] [ACD/IUPAC Name]
4'-{3-[(2S)-2-Oxiranyl]propoxy}-4-biphenylcarbonitrile [ACD/IUPAC Name]
4'-{3-[(2S)-2-Oxiranyl]propoxy}-4-biphénylcarbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 458.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 164.1±17.8 °C
Index of Refraction: 1.600
Molar Refractivity: 80.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 138.11
ACD/KOC (pH 5.5): 1184.61
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 138.11
ACD/KOC (pH 7.4): 1184.61
Polar Surface Area: 46 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 235.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement