ChemSpider 2D Image | 2-chloro-6-methanesulfonylbenzonitrile | C8H6ClNO2S

2-chloro-6-methanesulfonylbenzonitrile

  • Molecular FormulaC8H6ClNO2S
  • Average mass215.657 Da
  • Monoisotopic mass214.980774 Da
  • ChemSpider ID34210874

More details:

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

1443981-55-2 [RN]
2-Chlor-6-(methylsulfonyl)benzonitril [German] [ACD/IUPAC Name]
2-Chloro-6-(methylsulfonyl)benzonitrile [ACD/IUPAC Name]
2-Chloro-6-(méthylsulfonyl)benzonitrile [French] [ACD/IUPAC Name]
2-chloro-6-methanesulfonylbenzonitrile
Benzonitrile, 2-chloro-6-(methylsulfonyl)- [ACD/Index Name]
MFCD24842835

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 450.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.9±3.0 kJ/mol
    Flash Point: 226.2±28.7 °C
    Index of Refraction: 1.588
    Molar Refractivity: 49.6±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.15
    ACD/LogD (pH 5.5): 1.29
    ACD/BCF (pH 5.5): 5.60
    ACD/KOC (pH 5.5): 119.51
    ACD/LogD (pH 7.4): 1.29
    ACD/BCF (pH 7.4): 5.60
    ACD/KOC (pH 7.4): 119.51
    Polar Surface Area: 66 Å2
    Polarizability: 19.7±0.5 10-24cm3
    Surface Tension: 58.8±5.0 dyne/cm
    Molar Volume: 147.4±5.0 cm3

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