ChemSpider 2D Image | Methyl 5-bromo-2-methoxy-4-(trifluoromethyl)benzoate | C10H8BrF3O3

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

  • Molecular FormulaC10H8BrF3O3
  • Average mass313.068 Da
  • Monoisotopic mass311.960876 Da
  • ChemSpider ID23960060

More details:

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

1131587-97-7 [RN]
5-Bromo-2-méthoxy-4-(trifluorométhyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-bromo-2-methoxy-4-(trifluoromethyl)-, methyl ester [ACD/Index Name]
Methyl 5-bromo-2-methoxy-4-(trifluoromethyl)benzoate [ACD/IUPAC Name]
Methyl-5-brom-2-methoxy-4-(trifluormethyl)benzoat [German] [ACD/IUPAC Name]
[1131587-97-7] [RN]
2-Hydroxy-4'-iodo-acetophenone
5-bromo-2-methoxy-4-(trifluoromethyl)benzoic acid methyl ester
5-Bromo-2-methoxy-4-trifluoromethyl-benzoic acid methyl ester
DS-17744
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 309.1±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.0±3.0 kJ/mol
    Flash Point: 140.7±27.9 °C
    Index of Refraction: 1.483
    Molar Refractivity: 57.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.33
    ACD/LogD (pH 5.5): 3.81
    ACD/BCF (pH 5.5): 458.62
    ACD/KOC (pH 5.5): 2796.88
    ACD/LogD (pH 7.4): 3.81
    ACD/BCF (pH 7.4): 458.62
    ACD/KOC (pH 7.4): 2796.88
    Polar Surface Area: 36 Å2
    Polarizability: 22.7±0.5 10-24cm3
    Surface Tension: 31.6±3.0 dyne/cm
    Molar Volume: 201.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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