ChemSpider 2D Image | 4-Bromo-3-fluorobenzyl methanesulfonate | C8H8BrFO3S

4-Bromo-3-fluorobenzyl methanesulfonate

  • Molecular FormulaC8H8BrFO3S
  • Average mass283.115 Da
  • Monoisotopic mass281.936157 Da
  • ChemSpider ID30803733

More details:

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

4-Brom-3-fluorbenzyl-methansulfonat [German] [ACD/IUPAC Name]
4-Bromo-3-fluorobenzyl methanesulfonate [ACD/IUPAC Name]
Benzenemethanol, 4-bromo-3-fluoro-, methanesulfonate [ACD/Index Name]
Méthanesulfonate de 4-bromo-3-fluorobenzyle [French] [ACD/IUPAC Name]
1240286-88-7 [RN]
MFCD26403892

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 393.8±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 61.9±3.0 kJ/mol
    Flash Point: 191.9±25.1 °C
    Index of Refraction: 1.553
    Molar Refractivity: 54.4±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.95
    ACD/LogD (pH 5.5): 2.19
    ACD/BCF (pH 5.5): 27.32
    ACD/KOC (pH 5.5): 371.44
    ACD/LogD (pH 7.4): 2.19
    ACD/BCF (pH 7.4): 27.32
    ACD/KOC (pH 7.4): 371.44
    Polar Surface Area: 52 Å2
    Polarizability: 21.6±0.5 10-24cm3
    Surface Tension: 46.6±3.0 dyne/cm
    Molar Volume: 170.0±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement