ChemSpider 2D Image | Methyl 4-(difluoromethyl)-5-pyrimidinecarboxylate | C7H6F2N2O2

Methyl 4-(difluoromethyl)-5-pyrimidinecarboxylate

  • Molecular FormulaC7H6F2N2O2
  • Average mass188.132 Da
  • Monoisotopic mass188.039734 Da
  • ChemSpider ID35490876

More details:

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

1443286-01-8 [RN]
4-(Difluorométhyl)-5-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 4-(difluoromethyl)-, methyl ester [ACD/Index Name]
Methyl 4-(difluoromethyl)-5-pyrimidinecarboxylate [ACD/IUPAC Name]
methyl 4-(difluoromethyl)pyrimidine-5-carboxylate
Methyl-4-(difluormethyl)-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
4-Difluoromethyl-pyrimidine-5-carboxylic acid methyl ester
MFCD25368599

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 277.1±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.6±3.0 kJ/mol
    Flash Point: 121.4±27.3 °C
    Index of Refraction: 1.469
    Molar Refractivity: 39.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.38
    ACD/LogD (pH 5.5): 0.42
    ACD/BCF (pH 5.5): 1.23
    ACD/KOC (pH 5.5): 40.33
    ACD/LogD (pH 7.4): 0.42
    ACD/BCF (pH 7.4): 1.23
    ACD/KOC (pH 7.4): 40.33
    Polar Surface Area: 52 Å2
    Polarizability: 15.6±0.5 10-24cm3
    Surface Tension: 39.3±3.0 dyne/cm
    Molar Volume: 141.7±3.0 cm3

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