ChemSpider 2D Image | Methyl 4-bromo(~2~H_4_)benzoate | C8H3D4BrO2

Methyl 4-bromo(2H4)benzoate

  • Molecular FormulaC8H3D4BrO2
  • Average mass219.069 Da
  • Monoisotopic mass217.988037 Da
  • ChemSpider ID53606011

  • Non-standard isotope - Non-standard isotope

More details:

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

4-Bromo(2H4)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic-2,3,5,6-d4 acid, 4-bromo-, methyl ester [ACD/Index Name]
Methyl 4-bromo(2H4)benzoate [ACD/IUPAC Name]
Methyl-4-brom(2H4)benzoat [German] [ACD/IUPAC Name]
1643577-32-5 [RN]
4-(Methoxycarbonyl)bromobenzene-2,3,5,6-d4
methyl 4-bromobenzoate-2,3,5,6-d4
MFCD28345976

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 262.2±13.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.0±3.0 kJ/mol
    Flash Point: 112.4±19.8 °C
    Index of Refraction: 1.550
    Molar Refractivity: 45.7±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.95
    ACD/LogD (pH 5.5): 2.84
    ACD/BCF (pH 5.5): 84.36
    ACD/KOC (pH 5.5): 832.45
    ACD/LogD (pH 7.4): 2.84
    ACD/BCF (pH 7.4): 84.36
    ACD/KOC (pH 7.4): 832.45
    Polar Surface Area: 26 Å2
    Polarizability: 18.1±0.5 10-24cm3
    Surface Tension: 40.8±3.0 dyne/cm
    Molar Volume: 143.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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