ChemSpider 2D Image | Methyl 5-bromo-2,3-difluorobenzoate | C8H5BrF2O2

Methyl 5-bromo-2,3-difluorobenzoate

  • Molecular FormulaC8H5BrF2O2
  • Average mass251.025 Da
  • Monoisotopic mass249.944092 Da
  • ChemSpider ID26541749

More details:

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

1150163-69-1 [RN]
5-Bromo-2,3-difluorobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-bromo-2,3-difluoro-, methyl ester [ACD/Index Name]
Methyl 5-bromo-2,3-difluorobenzoate [ACD/IUPAC Name]
Methyl-5-brom-2,3-difluorbenzoat [German] [ACD/IUPAC Name]
[1150163-69-1] [RN]
98%
CA-4694
methyl-5-bromo-2,3-difluorobenzoate
Methyl5-bromo-2,3-difluorobenzoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 263.0±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.1±3.0 kJ/mol
    Flash Point: 112.8±27.3 °C
    Index of Refraction: 1.514
    Molar Refractivity: 45.7±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.72
    ACD/LogD (pH 5.5): 3.09
    ACD/BCF (pH 5.5): 131.67
    ACD/KOC (pH 5.5): 1144.81
    ACD/LogD (pH 7.4): 3.09
    ACD/BCF (pH 7.4): 131.67
    ACD/KOC (pH 7.4): 1144.81
    Polar Surface Area: 26 Å2
    Polarizability: 18.1±0.5 10-24cm3
    Surface Tension: 37.9±3.0 dyne/cm
    Molar Volume: 151.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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