ChemSpider 2D Image | 4-(Difluoromethyl)-5-pyrimidinecarboxylic acid | C6H4F2N2O2

4-(Difluoromethyl)-5-pyrimidinecarboxylic acid

  • Molecular FormulaC6H4F2N2O2
  • Average mass174.105 Da
  • Monoisotopic mass174.024078 Da
  • ChemSpider ID27242881

More details:

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

1340535-05-8 [RN]
4-(Difluormethyl)-5-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
4-(Difluoromethyl)-5-pyrimidinecarboxylic acid [ACD/IUPAC Name]
4-(Difluoromethyl)pyrimidine-5-carboxylic acid
5-Pyrimidinecarboxylic acid, 4-(difluoromethyl)- [ACD/Index Name]
Acide 4-(difluorométhyl)-5-pyrimidinecarboxylique [French] [ACD/IUPAC Name]
[1340535-05-8] [RN]
1224944-77-7 [RN]
4-Difluoromethylpyrimidine-5-carboxylic acid
4-Difluoromethyl-pyrimidine-5-carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 323.6±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 59.7±3.0 kJ/mol
    Flash Point: 149.5±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: 0.26
    ACD/LogD (pH 5.5): -2.43
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.62
    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

    Click to predict properties on the Chemicalize site


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