ChemSpider 2D Image | 2-Bromo-6-fluoro-3-(trifluoromethyl)benzoic acid | C8H3BrF4O2

2-Bromo-6-fluoro-3-(trifluoromethyl)benzoic acid

  • Molecular FormulaC8H3BrF4O2
  • Average mass287.006 Da
  • Monoisotopic mass285.925232 Da
  • ChemSpider ID62136766

More details:

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

2-Brom-6-fluor-3-(trifluormethyl)benzoesäure [German] [ACD/IUPAC Name]
2-Bromo-6-fluoro-3-(trifluoromethyl)benzoic acid [ACD/IUPAC Name]
Acide 2-bromo-6-fluoro-3-(trifluorométhyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-bromo-6-fluoro-3-(trifluoromethyl)- [ACD/Index Name]
2059937-52-7 [RN]
MFCD30497608

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 272.0±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.9±3.0 kJ/mol
    Flash Point: 118.3±27.3 °C
    Index of Refraction: 1.500
    Molar Refractivity: 45.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.16
    ACD/LogD (pH 5.5): 0.24
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.24
    ACD/LogD (pH 7.4): 0.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.09
    Polar Surface Area: 37 Å2
    Polarizability: 18.2±0.5 10-24cm3
    Surface Tension: 36.9±3.0 dyne/cm
    Molar Volume: 155.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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