ChemSpider 2D Image | 5-Fluoro-2-(methylsulfonyl)benzonitrile | C8H6FNO2S

5-Fluoro-2-(methylsulfonyl)benzonitrile

  • Molecular FormulaC8H6FNO2S
  • Average mass199.202 Da
  • Monoisotopic mass199.010330 Da
  • ChemSpider ID28610594

More details:

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

5-Fluor-2-(methylsulfonyl)benzonitril [German] [ACD/IUPAC Name]
5-Fluoro-2-(methylsulfonyl)benzonitrile [ACD/IUPAC Name]
5-Fluoro-2-(méthylsulfonyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 5-fluoro-2-(methylsulfonyl)- [ACD/Index Name]
[1379097-18-3] [RN]
1379097-18-3 [RN]
3'-Fluoro-biphenyl-4-carboxylic acid;4-BIPHENYL-3'-FLUORO-CARBOXYLIC ACID
4-Biphenyl-3'-fluoro-carboxylicacid
5-Fluoro-2-(methylsulphonyl)benzonitrile
5-fluoro-2-methanesulfonylbenzonitrile
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 387.8±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.7±3.0 kJ/mol
    Flash Point: 188.3±27.9 °C
    Index of Refraction: 1.549
    Molar Refractivity: 44.9±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.29
    ACD/LogD (pH 5.5): 0.57
    ACD/BCF (pH 5.5): 1.60
    ACD/KOC (pH 5.5): 48.79
    ACD/LogD (pH 7.4): 0.57
    ACD/BCF (pH 7.4): 1.60
    ACD/KOC (pH 7.4): 48.79
    Polar Surface Area: 66 Å2
    Polarizability: 17.8±0.5 10-24cm3
    Surface Tension: 51.8±5.0 dyne/cm
    Molar Volume: 141.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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