ChemSpider 2D Image | 3-Amino-7-bromo-4-isoquinolinecarbonitrile | C10H6BrN3

3-Amino-7-bromo-4-isoquinolinecarbonitrile

  • Molecular FormulaC10H6BrN3
  • Average mass248.079 Da
  • Monoisotopic mass246.974503 Da
  • ChemSpider ID29358068

More details:

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

1382847-98-4 [RN]
3-Amino-7-brom-4-isochinolincarbonitril [German] [ACD/IUPAC Name]
3-Amino-7-bromo-4-isoquinoléinecarbonitrile [French] [ACD/IUPAC Name]
3-Amino-7-bromo-4-isoquinolinecarbonitrile [ACD/IUPAC Name]
3-AMINO-7-BROMOISOQUINOLINE-4-CARBONITRILE
4-Isoquinolinecarbonitrile, 3-amino-7-bromo- [ACD/Index Name]
MFCD22574154

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 452.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.2±3.0 kJ/mol
    Flash Point: 227.5±28.7 °C
    Index of Refraction: 1.742
    Molar Refractivity: 58.0±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.43
    ACD/LogD (pH 5.5): 2.68
    ACD/BCF (pH 5.5): 64.49
    ACD/KOC (pH 5.5): 686.84
    ACD/LogD (pH 7.4): 2.68
    ACD/BCF (pH 7.4): 64.50
    ACD/KOC (pH 7.4): 686.86
    Polar Surface Area: 63 Å2
    Polarizability: 23.0±0.5 10-24cm3
    Surface Tension: 82.3±5.0 dyne/cm
    Molar Volume: 143.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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