ChemSpider 2D Image | 3-Fluoro-4-methoxy-5-nitrobenzonitrile | C8H5FN2O3

3-Fluoro-4-methoxy-5-nitrobenzonitrile

  • Molecular FormulaC8H5FN2O3
  • Average mass196.135 Da
  • Monoisotopic mass196.028427 Da
  • ChemSpider ID24789610

More details:

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

3-Fluor-4-methoxy-5-nitrobenzonitril [German] [ACD/IUPAC Name]
3-Fluoro-4-methoxy-5-nitrobenzonitrile [ACD/IUPAC Name]
3-Fluoro-4-méthoxy-5-nitrobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-fluoro-4-methoxy-5-nitro- [ACD/Index Name]
[1255783-15-3] [RN]
1255783-15-3 [RN]
3-Fluoro-4-methoxy-5-nitro-benzonitrile
MFCD15528850 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 333.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.7±3.0 kJ/mol
    Flash Point: 155.8±27.9 °C
    Index of Refraction: 1.542
    Molar Refractivity: 43.8±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.91
    ACD/LogD (pH 5.5): 1.57
    ACD/BCF (pH 5.5): 9.16
    ACD/KOC (pH 5.5): 169.83
    ACD/LogD (pH 7.4): 1.57
    ACD/BCF (pH 7.4): 9.16
    ACD/KOC (pH 7.4): 169.83
    Polar Surface Area: 79 Å2
    Polarizability: 17.4±0.5 10-24cm3
    Surface Tension: 53.1±5.0 dyne/cm
    Molar Volume: 139.3±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement