ChemSpider 2D Image | 6-Bromo-1-benzofuran-3-carboxylic acid | C9H5BrO3

6-Bromo-1-benzofuran-3-carboxylic acid

  • Molecular FormulaC9H5BrO3
  • Average mass241.038 Da
  • Monoisotopic mass239.942200 Da
  • ChemSpider ID27707317

More details:

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

1393570-42-7 [RN]
3-Benzofurancarboxylic acid, 6-bromo- [ACD/Index Name]
6-Brom-1-benzofuran-3-carbonsäure [German] [ACD/IUPAC Name]
6-Bromo-1-benzofuran-3-carboxylic acid [ACD/IUPAC Name]
Acide 6-bromo-1-benzofurane-3-carboxylique [French] [ACD/IUPAC Name]
6-BROMOBENZOFURAN-3-CARBOXYLIC ACID
MFCD22544068

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 382.5±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 66.6±3.0 kJ/mol
    Flash Point: 185.1±22.3 °C
    Index of Refraction: 1.680
    Molar Refractivity: 51.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.12
    ACD/LogD (pH 5.5): 0.62
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.78
    ACD/LogD (pH 7.4): -0.03
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 50 Å2
    Polarizability: 20.2±0.5 10-24cm3
    Surface Tension: 61.2±3.0 dyne/cm
    Molar Volume: 135.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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