ChemSpider 2D Image | 3,4-Dichloro-2-hydroxybenzonitrile | C7H3Cl2NO

3,4-Dichloro-2-hydroxybenzonitrile

  • Molecular FormulaC7H3Cl2NO
  • Average mass188.011 Da
  • Monoisotopic mass186.959167 Da
  • ChemSpider ID38775710

More details:

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

3,4-Dichlor-2-hydroxybenzonitril [German] [ACD/IUPAC Name]
3,4-Dichloro-2-hydroxybenzonitrile [ACD/IUPAC Name]
3,4-Dichloro-2-hydroxybenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3,4-dichloro-2-hydroxy- [ACD/Index Name]
115661-18-2 [RN]
DS-19007
MFCD25459311

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 267.7±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.6±3.0 kJ/mol
    Flash Point: 115.7±27.3 °C
    Index of Refraction: 1.628
    Molar Refractivity: 42.5±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.00
    ACD/LogD (pH 5.5): 2.14
    ACD/BCF (pH 5.5): 15.80
    ACD/KOC (pH 5.5): 145.16
    ACD/LogD (pH 7.4): 0.43
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.83
    Polar Surface Area: 44 Å2
    Polarizability: 16.9±0.5 10-24cm3
    Surface Tension: 67.0±5.0 dyne/cm
    Molar Volume: 119.7±5.0 cm3

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