ChemSpider 2D Image | 2,6-Dibromo-4-fluorobenzonitrile | C7H2Br2FN

2,6-Dibromo-4-fluorobenzonitrile

  • Molecular FormulaC7H2Br2FN
  • Average mass278.904 Da
  • Monoisotopic mass276.853790 Da
  • ChemSpider ID21132492

More details:

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

2,6-Dibrom-4-fluorbenzonitril [German] [ACD/IUPAC Name]
2,6-Dibromo-4-fluorobenzonitrile [ACD/IUPAC Name]
2,6-Dibromo-4-fluorobenzonitrile [French] [ACD/IUPAC Name]
404928-18-3 [RN]
Benzonitrile, 2,6-dibromo-4-fluoro- [ACD/Index Name]
atoms 11 bonds 11
MFCD24387472

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

    Density: 2.1±0.1 g/cm3
    Boiling Point: 323.1±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.5±3.0 kJ/mol
    Flash Point: 149.2±27.9 °C
    Index of Refraction: 1.634
    Molar Refractivity: 46.9±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.77
    ACD/LogD (pH 5.5): 3.45
    ACD/BCF (pH 5.5): 247.74
    ACD/KOC (pH 5.5): 1799.85
    ACD/LogD (pH 7.4): 3.45
    ACD/BCF (pH 7.4): 247.74
    ACD/KOC (pH 7.4): 1799.85
    Polar Surface Area: 24 Å2
    Polarizability: 18.6±0.5 10-24cm3
    Surface Tension: 58.4±5.0 dyne/cm
    Molar Volume: 131.1±5.0 cm3

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