ChemSpider 2D Image | tert-Butyl 4-bromo-2-fluorobenzoate | C11H12BrFO2

tert-Butyl 4-bromo-2-fluorobenzoate

  • Molecular FormulaC11H12BrFO2
  • Average mass275.114 Da
  • Monoisotopic mass274.000458 Da
  • ChemSpider ID26542831

More details:

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

1,1-Dimethylethyl 4-bromo-2-fluorobenzoate
14580596 [Beilstein]
2-Methyl-2-propanyl 4-bromo-2-fluorobenzoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-brom-2-fluorbenzoat [German] [ACD/IUPAC Name]
4-Bromo-2-fluorobenzoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
889858-12-2 [RN]
Benzoic acid, 4-bromo-2-fluoro-, 1,1-dimethylethyl ester [ACD/Index Name]
FR CE FVOX1&1&1 [WLN]
tert-Butyl 4-bromo-2-fluorobenzoate [ACD/IUPAC Name]
2-methylpropan-2-yl 4-bromo-2-fluorobenzoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 305.7±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.6±3.0 kJ/mol
    Flash Point: 138.7±23.7 °C
    Index of Refraction: 1.516
    Molar Refractivity: 59.6±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.92
    ACD/LogD (pH 5.5): 4.01
    ACD/BCF (pH 5.5): 659.51
    ACD/KOC (pH 5.5): 3627.43
    ACD/LogD (pH 7.4): 4.01
    ACD/BCF (pH 7.4): 659.51
    ACD/KOC (pH 7.4): 3627.43
    Polar Surface Area: 26 Å2
    Polarizability: 23.6±0.5 10-24cm3
    Surface Tension: 36.3±3.0 dyne/cm
    Molar Volume: 197.3±3.0 cm3

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