ChemSpider 2D Image | 3'-Chloro-2-biphenylcarbonitrile | C13H8ClN

3'-Chloro-2-biphenylcarbonitrile

  • Molecular FormulaC13H8ClN
  • Average mass213.662 Da
  • Monoisotopic mass213.034531 Da
  • ChemSpider ID28535522

More details:

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

[1,1'-Biphenyl]-2-carbonitrile, 3'-chloro- [ACD/Index Name]
3'-Chlor-2-biphenylcarbonitril [German] [ACD/IUPAC Name]
3'-Chloro-2-biphenylcarbonitrile [ACD/IUPAC Name]
3'-Chloro-2-biphénylcarbonitrile [French] [ACD/IUPAC Name]
1338095-85-4 [RN]
2-(3-CHLOROPHENYL)BENZONITRILE
LD-0112
MFCD05979947

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 377.4±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.5±3.0 kJ/mol
    Flash Point: 168.3±18.2 °C
    Index of Refraction: 1.628
    Molar Refractivity: 60.9±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.80
    ACD/LogD (pH 5.5): 4.24
    ACD/BCF (pH 5.5): 974.20
    ACD/KOC (pH 5.5): 4795.95
    ACD/LogD (pH 7.4): 4.24
    ACD/BCF (pH 7.4): 974.20
    ACD/KOC (pH 7.4): 4795.95
    Polar Surface Area: 24 Å2
    Polarizability: 24.1±0.5 10-24cm3
    Surface Tension: 52.9±5.0 dyne/cm
    Molar Volume: 171.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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