ChemSpider 2D Image | 3-(Allyloxy)-5-bromo-1-benzofuran-2-carboxylic acid | C12H9BrO4

3-(Allyloxy)-5-bromo-1-benzofuran-2-carboxylic acid

  • Molecular FormulaC12H9BrO4
  • Average mass297.102 Da
  • Monoisotopic mass295.968414 Da
  • ChemSpider ID35492212

More details:

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

1708079-41-7 [RN]
2-Benzofurancarboxylic acid, 5-bromo-3-(2-propen-1-yloxy)- [ACD/Index Name]
3-(Allyloxy)-5-brom-1-benzofuran-2-carbonsäure [German] [ACD/IUPAC Name]
3-(Allyloxy)-5-bromo-1-benzofuran-2-carboxylic acid [ACD/IUPAC Name]
5-bromo-3-(prop-2-en-1-yloxy)-1-benzofuran-2-carboxylic acid
Acide 3-(allyloxy)-5-bromo-1-benzofurane-2-carboxylique [French] [ACD/IUPAC Name]
3-(Allyloxy)-5-bromobenzofuran-2-carboxylic acid
3-Allyloxy-5-bromo-benzofuran-2-carboxylic acid
5-bromo-3-prop-2-enoxy-1-benzofuran-2-carboxylic acid
MFCD26129414

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 421.3±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.2±3.0 kJ/mol
    Flash Point: 208.6±27.3 °C
    Index of Refraction: 1.631
    Molar Refractivity: 66.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.58
    ACD/LogD (pH 5.5): 1.23
    ACD/BCF (pH 5.5): 1.31
    ACD/KOC (pH 5.5): 8.60
    ACD/LogD (pH 7.4): 0.53
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.74
    Polar Surface Area: 60 Å2
    Polarizability: 26.4±0.5 10-24cm3
    Surface Tension: 52.1±3.0 dyne/cm
    Molar Volume: 187.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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