ChemSpider 2D Image | 5-Bromo-4-fluoro-2-methoxybenzonitrile | C8H5BrFNO

5-Bromo-4-fluoro-2-methoxybenzonitrile

  • Molecular FormulaC8H5BrFNO
  • Average mass230.034 Da
  • Monoisotopic mass228.953842 Da
  • ChemSpider ID29273543

More details:

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

5-Brom-4-fluor-2-methoxybenzonitril [German] [ACD/IUPAC Name]
5-Bromo-4-fluoro-2-methoxybenzonitrile [ACD/IUPAC Name]
5-Bromo-4-fluoro-2-méthoxybenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 5-bromo-4-fluoro-2-methoxy- [ACD/Index Name]
1379366-31-0 [RN]
4-bromo-2-cyano-5-fluoroanisole
5-Bromo-4-fluoro-2-methoxy-benzonitrile
MFCD18761964

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 275.6±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.4±3.0 kJ/mol
    Flash Point: 120.5±25.9 °C
    Index of Refraction: 1.562
    Molar Refractivity: 45.5±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.62
    ACD/LogD (pH 5.5): 2.82
    ACD/BCF (pH 5.5): 82.41
    ACD/KOC (pH 5.5): 818.62
    ACD/LogD (pH 7.4): 2.82
    ACD/BCF (pH 7.4): 82.41
    ACD/KOC (pH 7.4): 818.62
    Polar Surface Area: 33 Å2
    Polarizability: 18.0±0.5 10-24cm3
    Surface Tension: 48.2±5.0 dyne/cm
    Molar Volume: 140.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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