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

Methyl 4-(difluoromethyl)-2-pyrimidinecarboxylate

  • Molecular FormulaC7H6F2N2O2
  • Average mass188.132 Da
  • Monoisotopic mass188.039734 Da
  • ChemSpider ID44235998

More details:

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

1355729-56-4 [RN]
2-Pyrimidinecarboxylic acid, 4-(difluoromethyl)-, methyl ester [ACD/Index Name]
4-(Difluorométhyl)-2-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-(difluoromethyl)-2-pyrimidinecarboxylate [ACD/IUPAC Name]
Methyl 4-(difluoromethyl)pyrimidine-2-carboxylate
Methyl-4-(difluormethyl)-2-pyrimidincarboxylat [German] [ACD/IUPAC Name]
MFCD28040183

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 281.8±48.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.1±3.0 kJ/mol
    Flash Point: 124.2±29.6 °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: -0.40
    ACD/LogD (pH 5.5): 0.14
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 28.57
    ACD/LogD (pH 7.4): 0.14
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 28.57
    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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