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Search term: MF = 'C_{8}H_{3}BrF_{4}O_{2}'
ChemSpider 2D Image | 5-Bromo-2-fluoro-3-(trifluoromethyl)benzoic acid | C8H3BrF4O2

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

  • Molecular FormulaC8H3BrF4O2
  • Average mass287.006 Da
  • Monoisotopic mass285.925232 Da
  • ChemSpider ID57416599

More details:

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

5-Brom-2-fluor-3-(trifluormethyl)benzoesäure [German] [ACD/IUPAC Name]
5-Bromo-2-fluoro-3-(trifluoromethyl)benzoic acid [ACD/IUPAC Name]
Acide 5-bromo-2-fluoro-3-(trifluorométhyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-bromo-2-fluoro-3-(trifluoromethyl)- [ACD/Index Name]
QVR BF EE CXFFF [WLN]
1881295-62-0 [RN]
MFCD29043332 [MDL number]

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 282.1±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 55.0±3.0 kJ/mol
    Flash Point: 124.4±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: 3.38
    ACD/LogD (pH 5.5): 0.44
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.18
    ACD/LogD (pH 7.4): 0.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    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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