ChemSpider 2D Image | tert-Butyl 2-bromo-5-methoxybenzoate | C12H15BrO3

tert-Butyl 2-bromo-5-methoxybenzoate

  • Molecular FormulaC12H15BrO3
  • Average mass287.150 Da
  • Monoisotopic mass286.020447 Da
  • ChemSpider ID21474532

More details:

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

1,1-Dimethylethyl 2-bromo-5-methoxybenzoate
2-Bromo-5-méthoxybenzoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-bromo-5-methoxybenzoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-brom-5-methoxybenzoat [German] [ACD/IUPAC Name]
957063-12-6 [RN]
Benzoic acid, 2-bromo-5-methoxy-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl 2-bromo-5-methoxybenzoate
[957063-12-6] [RN]
CA-4295
MFCD09878358 [MDL number]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 325.8±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.8±3.0 kJ/mol
    Flash Point: 150.8±22.3 °C
    Index of Refraction: 1.522
    Molar Refractivity: 66.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.92
    ACD/LogD (pH 5.5): 3.77
    ACD/BCF (pH 5.5): 428.46
    ACD/KOC (pH 5.5): 2663.94
    ACD/LogD (pH 7.4): 3.77
    ACD/BCF (pH 7.4): 428.46
    ACD/KOC (pH 7.4): 2663.94
    Polar Surface Area: 36 Å2
    Polarizability: 26.3±0.5 10-24cm3
    Surface Tension: 36.5±3.0 dyne/cm
    Molar Volume: 217.1±3.0 cm3

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