ChemSpider 2D Image | Ethyl 6-bromo-3-hydroxy-5-methyl-2-pyrazinecarboxylate | C8H9BrN2O3

Ethyl 6-bromo-3-hydroxy-5-methyl-2-pyrazinecarboxylate

  • Molecular FormulaC8H9BrN2O3
  • Average mass261.073 Da
  • Monoisotopic mass259.979645 Da
  • ChemSpider ID62117473

More details:

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

2-Pyrazinecarboxylic acid, 6-bromo-3-hydroxy-5-methyl-, ethyl ester [ACD/Index Name]
6-Bromo-3-hydroxy-5-méthyl-2-pyrazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-bromo-3-hydroxy-5-methyl-2-pyrazinecarboxylate [ACD/IUPAC Name]
Ethyl-6-brom-3-hydroxy-5-methyl-2-pyrazincarboxylat [German] [ACD/IUPAC Name]
1269026-22-3 [RN]
ethyl 6-bromo-3-hydroxy-5-methylpyrazine-2-carboxylate
ethyl 6-bromo-5-methyl-3-oxo-3,4-dihydropyrazine-2-carboxylate
ethyl 6-bromo-5-methyl-3-oxo-4H-pyrazine-2-carboxylate
MFCD29905280

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 436.5±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.0±3.0 kJ/mol
    Flash Point: 217.8±27.3 °C
    Index of Refraction: 1.575
    Molar Refractivity: 53.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.93
    ACD/LogD (pH 5.5): 2.89
    ACD/BCF (pH 5.5): 91.74
    ACD/KOC (pH 5.5): 865.79
    ACD/LogD (pH 7.4): 2.08
    ACD/BCF (pH 7.4): 14.14
    ACD/KOC (pH 7.4): 133.41
    Polar Surface Area: 72 Å2
    Polarizability: 21.1±0.5 10-24cm3
    Surface Tension: 57.3±3.0 dyne/cm
    Molar Volume: 161.2±3.0 cm3

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