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Search term: MF = 'C_{9}H_{6}BrF_{3}O_{3}'
ChemSpider 2D Image | Methyl 5-bromo-2-hydroxy-4-(trifluoromethyl)benzoate | C9H6BrF3O3

Methyl 5-bromo-2-hydroxy-4-(trifluoromethyl)benzoate

  • Molecular FormulaC9H6BrF3O3
  • Average mass299.041 Da
  • Monoisotopic mass297.945221 Da
  • ChemSpider ID23960053

More details:

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

1131587-92-2 [RN]
5-Bromo-2-hydroxy-4-(trifluorométhyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-bromo-2-hydroxy-4-(trifluoromethyl)-, methyl ester [ACD/Index Name]
Methyl 5-bromo-2-hydroxy-4-(trifluoromethyl)benzoate [ACD/IUPAC Name]
Methyl-5-brom-2-hydroxy-4-(trifluormethyl)benzoat [German] [ACD/IUPAC Name]
5-bromo-2-hydroxy-4-(trifluoromethyl)benzoic acid methyl ester
5-Bromo-2-hydroxy-4-trifluoromethyl-benzoic acid methyl ester
AGN-PC-079S13
AK133850
AKOS015852172
More...

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 287.4±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.8±3.0 kJ/mol
    Flash Point: 127.6±27.3 °C
    Index of Refraction: 1.511
    Molar Refractivity: 52.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.91
    ACD/LogD (pH 5.5): 4.74
    ACD/BCF (pH 5.5): 2376.10
    ACD/KOC (pH 5.5): 9073.89
    ACD/LogD (pH 7.4): 4.68
    ACD/BCF (pH 7.4): 2054.65
    ACD/KOC (pH 7.4): 7846.35
    Polar Surface Area: 47 Å2
    Polarizability: 20.8±0.5 10-24cm3
    Surface Tension: 37.7±3.0 dyne/cm
    Molar Volume: 175.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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