ChemSpider 2D Image | [4-(Difluoromethyl)-6-oxo-1(6H)-pyrimidinyl]acetic acid | C7H6F2N2O3

[4-(Difluoromethyl)-6-oxo-1(6H)-pyrimidinyl]acetic acid

  • Molecular FormulaC7H6F2N2O3
  • Average mass204.131 Da
  • Monoisotopic mass204.034653 Da
  • ChemSpider ID58222823

More details:

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

[4-(Difluormethyl)-6-oxo-1(6H)-pyrimidinyl]essigsäure [German] [ACD/IUPAC Name]
[4-(Difluoromethyl)-6-oxo-1(6H)-pyrimidinyl]acetic acid [ACD/IUPAC Name]
1(6H)-Pyrimidineacetic acid, 4-(difluoromethyl)-6-oxo- [ACD/Index Name]
Acide [4-(difluorométhyl)-6-oxo-1(6H)-pyrimidinyl]acétique [French] [ACD/IUPAC Name]
2-(4-(difluoromethyl)-6-oxopyrimidin-1(6H)-yl)acetic acid
2091607-75-7 [RN]
MFCD30000480

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 335.8±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 63.6±6.0 kJ/mol
    Flash Point: 156.9±30.7 °C
    Index of Refraction: 1.553
    Molar Refractivity: 41.6±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.39
    ACD/LogD (pH 5.5): -2.36
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.95
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 70 Å2
    Polarizability: 16.5±0.5 10-24cm3
    Surface Tension: 47.5±7.0 dyne/cm
    Molar Volume: 129.9±7.0 cm3

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