ChemSpider 2D Image | 4-[(3-Chlorophenyl)(hydroxy)methyl]benzonitrile | C14H10ClNO

4-[(3-Chlorophenyl)(hydroxy)methyl]benzonitrile

  • Molecular FormulaC14H10ClNO
  • Average mass243.688 Da
  • Monoisotopic mass243.045090 Da
  • ChemSpider ID28560953

More details:

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

186000-52-2 [RN]
4-[(3-Chlorophenyl)(hydroxy)methyl]benzonitrile [ACD/IUPAC Name]
4-[(3-Chlorophényl)(hydroxy)méthyl]benzonitrile [French] [ACD/IUPAC Name]
4-[(3-Chlorphenyl)(hydroxy)methyl]benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 4-[(3-chlorophenyl)hydroxymethyl]- [ACD/Index Name]
MFCD22205837
SH-5505

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 418.8±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 70.9±3.0 kJ/mol
    Flash Point: 207.1±27.3 °C
    Index of Refraction: 1.641
    Molar Refractivity: 67.0±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.77
    ACD/LogD (pH 5.5): 3.09
    ACD/BCF (pH 5.5): 132.23
    ACD/KOC (pH 5.5): 1148.27
    ACD/LogD (pH 7.4): 3.09
    ACD/BCF (pH 7.4): 132.22
    ACD/KOC (pH 7.4): 1148.27
    Polar Surface Area: 44 Å2
    Polarizability: 26.6±0.5 10-24cm3
    Surface Tension: 60.1±5.0 dyne/cm
    Molar Volume: 185.8±5.0 cm3

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