ChemSpider 2D Image | tert-Butyl2-chloro-4-fluoroBenzoate | C11H12ClFO2

tert-Butyl2-chloro-4-fluoroBenzoate

  • Molecular FormulaC11H12ClFO2
  • Average mass230.663 Da
  • Monoisotopic mass230.050980 Da
  • ChemSpider ID21469928

More details:

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

2-Chloro-4-fluorobenzoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-chloro-4-fluorobenzoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-chlor-4-fluorbenzoat [German] [ACD/IUPAC Name]
911314-43-7 [RN]
Benzoic acid, 2-chloro-4-fluoro-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl2-chloro-4-fluoroBenzoate
[911314-43-7] [RN]
CA-4288
MFCD09800898 [MDL number]
tert-Butyl 2-chloro-4-fluorobenzoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 266.3±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.4±3.0 kJ/mol
    Flash Point: 95.7±10.9 °C
    Index of Refraction: 1.500
    Molar Refractivity: 56.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.35
    ACD/LogD (pH 5.5): 3.67
    ACD/BCF (pH 5.5): 361.20
    ACD/KOC (pH 5.5): 2357.46
    ACD/LogD (pH 7.4): 3.67
    ACD/BCF (pH 7.4): 361.20
    ACD/KOC (pH 7.4): 2357.46
    Polar Surface Area: 26 Å2
    Polarizability: 22.5±0.5 10-24cm3
    Surface Tension: 35.0±3.0 dyne/cm
    Molar Volume: 193.1±3.0 cm3

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