ChemSpider 2D Image | 3-Chloro-6-nitroisoquinolin-1-ol | C9H5ClN2O3

3-Chloro-6-nitroisoquinolin-1-ol

  • Molecular FormulaC9H5ClN2O3
  • Average mass224.601 Da
  • Monoisotopic mass223.998871 Da
  • ChemSpider ID29304117

More details:

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

1(2H)-Isoquinolinone, 3-chloro-6-nitro- [ACD/Index Name]
1416714-03-8 [RN]
3-Chlor-6-nitro-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
3-Chloro-6-nitro-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
3-Chloro-6-nitro-1(2H)-isoquinolinone [ACD/IUPAC Name]
3-Chloro-6-nitroisoquinolin-1-ol
3-chloro-6-nitro-1,2-dihydroisoquinolin-1-one
3-chloro-6-nitro-2H-isoquinolin-1-one
MFCD22689637

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 533.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.0±3.0 kJ/mol
    Flash Point: 276.5±28.7 °C
    Index of Refraction: 1.731
    Molar Refractivity: 55.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.37
    ACD/LogD (pH 5.5): 2.55
    ACD/BCF (pH 5.5): 50.45
    ACD/KOC (pH 5.5): 573.40
    ACD/LogD (pH 7.4): 2.19
    ACD/BCF (pH 7.4): 22.16
    ACD/KOC (pH 7.4): 251.91
    Polar Surface Area: 79 Å2
    Polarizability: 22.0±0.5 10-24cm3
    Surface Tension: 76.9±3.0 dyne/cm
    Molar Volume: 139.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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