ChemSpider 2D Image | [6-Oxo-4-(trifluoromethyl)-1(6H)-pyrimidinyl]acetic acid | C7H5F3N2O3

[6-Oxo-4-(trifluoromethyl)-1(6H)-pyrimidinyl]acetic acid

  • Molecular FormulaC7H5F3N2O3
  • Average mass222.121 Da
  • Monoisotopic mass222.025223 Da
  • ChemSpider ID35499596

More details:

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

[6-Oxo-4-(trifluormethyl)-1(6H)-pyrimidinyl]essigsäure [German] [ACD/IUPAC Name]
[6-Oxo-4-(trifluoromethyl)-1(6H)-pyrimidinyl]acetic acid [ACD/IUPAC Name]
1(6H)-Pyrimidineacetic acid, 6-oxo-4-(trifluoromethyl)- [ACD/Index Name]
1708178-78-2 [RN]
2-[6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-1-yl]acetic acid
Acide [6-oxo-4-(trifluorométhyl)-1(6H)-pyrimidinyl]acétique [French] [ACD/IUPAC Name]
(6-Oxo-4-trifluoromethyl-6H-pyrimidin-1-yl)-acetic acid
[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetic acid
2-(6-Oxo-4-(trifluoromethyl)pyrimidin-1(6H)-yl)acetic acid
2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 285.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 57.7±6.0 kJ/mol
    Flash Point: 126.2±30.1 °C
    Index of Refraction: 1.519
    Molar Refractivity: 42.0±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.51
    ACD/LogD (pH 5.5): -1.63
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.23
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 70 Å2
    Polarizability: 16.6±0.5 10-24cm3
    Surface Tension: 44.0±7.0 dyne/cm
    Molar Volume: 138.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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