ChemSpider 2D Image | 6-(Difluoromethyl)-4-pyrimidinecarboxylic acid | C6H4F2N2O2

6-(Difluoromethyl)-4-pyrimidinecarboxylic acid

  • Molecular FormulaC6H4F2N2O2
  • Average mass174.105 Da
  • Monoisotopic mass174.024078 Da
  • ChemSpider ID58122884

More details:

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

4-Pyrimidinecarboxylic acid, 6-(difluoromethyl)- [ACD/Index Name]
6-(Difluormethyl)-4-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
6-(Difluoromethyl)-4-pyrimidinecarboxylic acid [ACD/IUPAC Name]
Acide 6-(difluorométhyl)-4-pyrimidinecarboxylique [French] [ACD/IUPAC Name]
2090256-13-4 [RN]
6-(difluoromethyl)pyrimidine-4-carboxylic acid
6-Difluoromethyl-pyrimidine-4-carboxylic acid
MFCD30001302

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 331.1±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.6±3.0 kJ/mol
    Flash Point: 154.0±27.9 °C
    Index of Refraction: 1.507
    Molar Refractivity: 34.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.85
    ACD/LogD (pH 5.5): -1.99
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.38
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 63 Å2
    Polarizability: 13.7±0.5 10-24cm3
    Surface Tension: 51.8±3.0 dyne/cm
    Molar Volume: 116.4±3.0 cm3

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