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Search term: MF = 'C_{9}H_{6}BrF_{3}O_{3}'
ChemSpider 2D Image | 5-Bromo-2-methoxy-4-(trifluoromethyl)benzoic acid | C9H6BrF3O3

5-Bromo-2-methoxy-4-(trifluoromethyl)benzoic acid

  • Molecular FormulaC9H6BrF3O3
  • Average mass299.041 Da
  • Monoisotopic mass297.945221 Da
  • ChemSpider ID34485984

More details:

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

5-Brom-2-methoxy-4-(trifluormethyl)benzoesäure [German] [ACD/IUPAC Name]
5-Bromo-2-methoxy-4-(trifluoromethyl)benzoic acid [ACD/IUPAC Name]
Acide 5-bromo-2-méthoxy-4-(trifluorométhyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-bromo-2-methoxy-4-(trifluoromethyl)- [ACD/Index Name]
2090618-38-3 [RN]
5-Bromo-2-methoxy-4-(trifluoromethyl)-benzoic acid
5-Bromo-2-methoxy-4-trifluoromethyl-benzoic acid

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 322.6±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 59.6±3.0 kJ/mol
    Flash Point: 148.9±27.9 °C
    Index of Refraction: 1.510
    Molar Refractivity: 52.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.15
    ACD/LogD (pH 5.5): 1.19
    ACD/BCF (pH 5.5): 1.36
    ACD/KOC (pH 5.5): 9.96
    ACD/LogD (pH 7.4): 0.33
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.37
    Polar Surface Area: 47 Å2
    Polarizability: 20.8±0.5 10-24cm3
    Surface Tension: 37.2±3.0 dyne/cm
    Molar Volume: 175.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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