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

tert-Butyl 2-bromo-4-fluorobenzoate

  • Molecular FormulaC11H12BrFO2
  • Average mass275.114 Da
  • Monoisotopic mass274.000458 Da
  • ChemSpider ID21469927

More details:

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

1,1-Dimethylethyl 2-bromo-4-fluorobenzoate
2-Bromo-4-fluorobenzoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-bromo-4-fluorobenzoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-brom-4-fluorbenzoat [German] [ACD/IUPAC Name]
951884-50-7 [RN]
Benzoic acid, 2-bromo-4-fluoro-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl 2-bromo-4-fluorobenzoate [ACD/IUPAC Name]
[951884-50-7] [RN]
2-Bromo-4-fluorobenzoic acid tert-butyl ester
889858-12-2 [RN]
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 281.0±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.0±3.0 kJ/mol
    Flash Point: 123.7±21.8 °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: 3.85
    ACD/LogD (pH 5.5): 3.99
    ACD/BCF (pH 5.5): 636.07
    ACD/KOC (pH 5.5): 3534.67
    ACD/LogD (pH 7.4): 3.99
    ACD/BCF (pH 7.4): 636.07
    ACD/KOC (pH 7.4): 3534.67
    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

    Click to predict properties on the Chemicalize site


    Advertisement