ChemSpider 2D Image | 5-Bromo-3-methyl-2-furoic acid | C6H5BrO3

5-Bromo-3-methyl-2-furoic acid

  • Molecular FormulaC6H5BrO3
  • Average mass205.006 Da
  • Monoisotopic mass203.942200 Da
  • ChemSpider ID11641664

More details:

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

2-Furancarboxylic acid, 5-bromo-3-methyl- [ACD/Index Name]
5896-35-5 [RN]
5-Brom-3-methyl-2-furoesäure [German] [ACD/IUPAC Name]
5-Bromo-3-methyl-2-furoic acid [ACD/IUPAC Name]
5-bromo-3-methylfuran-2-carboxylic acid
Acide 5-bromo-3-méthyl-2-furoïque [French] [ACD/IUPAC Name]
5-bromo-3-methylfuran-2-carboxylicacid
MFCD06227464 [MDL number]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 285.1±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 55.4±3.0 kJ/mol
    Flash Point: 126.2±27.3 °C
    Index of Refraction: 1.562
    Molar Refractivity: 38.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.08
    ACD/LogD (pH 5.5): -0.14
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.75
    ACD/LogD (pH 7.4): -0.95
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 50 Å2
    Polarizability: 15.1±0.5 10-24cm3
    Surface Tension: 49.9±3.0 dyne/cm
    Molar Volume: 117.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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