ChemSpider 2D Image | Methyl 2-(4-(trifluoromethyl)phenyl)pyrimidine-5-carboxylate | C13H9F3N2O2

Methyl 2-(4-(trifluoromethyl)phenyl)pyrimidine-5-carboxylate

  • Molecular FormulaC13H9F3N2O2
  • Average mass282.218 Da
  • Monoisotopic mass282.061615 Da
  • ChemSpider ID28184781

More details:

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

2-[4-(Trifluorométhyl)phényl]-5-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 2-[4-(trifluoromethyl)phenyl]-, methyl ester [ACD/Index Name]
871251-66-0 [RN]
Methyl 2-(4-(trifluoromethyl)phenyl)pyrimidine-5-carboxylate
Methyl 2-[4-(trifluoromethyl)phenyl]-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Methyl-2-[4-(trifluormethyl)phenyl]-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
2-(4-(trifluoromethyl)phenyl)-5-pyrimidinecarboxylic acid methyl ester
2-(4-Trifluoromethyl-phenyl)-pyrimidine-5-carboxylic acid methyl ester
2-(4-Trifluoromethylphenyl)Pyrimidine-5-CarboxylicAcidMethylEster
2-[4-(trifluoromethyl)phenyl]-5-pyrimidinecarboxylic acid methyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 288.4±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.8±3.0 kJ/mol
    Flash Point: 128.2±27.3 °C
    Index of Refraction: 1.512
    Molar Refractivity: 63.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.26
    ACD/LogD (pH 5.5): 3.08
    ACD/BCF (pH 5.5): 129.10
    ACD/KOC (pH 5.5): 1128.77
    ACD/LogD (pH 7.4): 3.08
    ACD/BCF (pH 7.4): 129.10
    ACD/KOC (pH 7.4): 1128.77
    Polar Surface Area: 52 Å2
    Polarizability: 25.3±0.5 10-24cm3
    Surface Tension: 38.9±3.0 dyne/cm
    Molar Volume: 212.6±3.0 cm3

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