ChemSpider 2D Image | 3-Chloro-4-isoquinolinecarbonitrile | C10H5ClN2

3-Chloro-4-isoquinolinecarbonitrile

  • Molecular FormulaC10H5ClN2
  • Average mass188.613 Da
  • Monoisotopic mass188.014130 Da
  • ChemSpider ID28535273

More details:

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

1256463-73-6 [RN]
3-Chlor-4-isochinolincarbonitril [German] [ACD/IUPAC Name]
3-Chloro-4-isoquinoléinecarbonitrile [French] [ACD/IUPAC Name]
3-Chloro-4-isoquinolinecarbonitrile [ACD/IUPAC Name]
3-Chloroisoquinoline-4-carbonitrile
4-Isoquinolinecarbonitrile, 3-chloro- [ACD/Index Name]
[1256463-73-6] [RN]
MFCD19688160 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 374.2±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.2±3.0 kJ/mol
    Flash Point: 180.1±22.3 °C
    Index of Refraction: 1.667
    Molar Refractivity: 51.5±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.37
    ACD/LogD (pH 5.5): 2.39
    ACD/BCF (pH 5.5): 38.72
    ACD/KOC (pH 5.5): 476.74
    ACD/LogD (pH 7.4): 2.39
    ACD/BCF (pH 7.4): 38.72
    ACD/KOC (pH 7.4): 476.74
    Polar Surface Area: 37 Å2
    Polarizability: 20.4±0.5 10-24cm3
    Surface Tension: 63.4±5.0 dyne/cm
    Molar Volume: 138.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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