ChemSpider 2D Image | Methyl 5-bromo-4-chloro-2-pyrimidinecarboxylate | C6H4BrClN2O2

Methyl 5-bromo-4-chloro-2-pyrimidinecarboxylate

  • Molecular FormulaC6H4BrClN2O2
  • Average mass251.465 Da
  • Monoisotopic mass249.914459 Da
  • ChemSpider ID49359678

More details:

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

2-Pyrimidinecarboxylic acid, 5-bromo-4-chloro-, methyl ester [ACD/Index Name]
5-Bromo-4-chloro-2-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-bromo-4-chloro-2-pyrimidinecarboxylate [ACD/IUPAC Name]
Methyl-5-brom-4-chlor-2-pyrimidincarboxylat [German] [ACD/IUPAC Name]
1521587-61-0 [RN]
Methyl 5-bromo-4-chloropyrimidine-2-carboxylate
Methyl5-bromo-4-chloro-pyrimidine-2-carboxylate
MFCD21744071

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 355.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.0±3.0 kJ/mol
    Flash Point: 168.5±28.7 °C
    Index of Refraction: 1.574
    Molar Refractivity: 46.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.94
    ACD/LogD (pH 5.5): 1.40
    ACD/BCF (pH 5.5): 6.79
    ACD/KOC (pH 5.5): 137.12
    ACD/LogD (pH 7.4): 1.40
    ACD/BCF (pH 7.4): 6.79
    ACD/KOC (pH 7.4): 137.12
    Polar Surface Area: 52 Å2
    Polarizability: 18.6±0.5 10-24cm3
    Surface Tension: 55.2±3.0 dyne/cm
    Molar Volume: 141.9±3.0 cm3

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