ChemSpider 2D Image | Ethyl 4-fluoro-5-methyl-1H-pyrazole-3-carboxylate | C7H9FN2O2

Ethyl 4-fluoro-5-methyl-1H-pyrazole-3-carboxylate

  • Molecular FormulaC7H9FN2O2
  • Average mass172.157 Da
  • Monoisotopic mass172.064804 Da
  • ChemSpider ID27445273

More details:

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

1H-Pyrazole-3-carboxylic acid, 4-fluoro-5-methyl-, ethyl ester [ACD/Index Name]
4-Fluoro-5-méthyl-1H-pyrazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
681034-80-0 [RN]
Ethyl 4-fluoro-5-methyl-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-4-fluor-5-methyl-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
4-fluoro-5-methyl-1h-pyrazole [ACD/IUPAC Name]
4-fluoro-5-methyl-1H-Pyrazole-3-carboxylic acid ethyl ester
MFCD16619994

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 314.5±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.6±3.0 kJ/mol
    Flash Point: 144.0±27.9 °C
    Index of Refraction: 1.501
    Molar Refractivity: 40.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.19
    ACD/LogD (pH 5.5): 1.38
    ACD/BCF (pH 5.5): 6.53
    ACD/KOC (pH 5.5): 133.41
    ACD/LogD (pH 7.4): 1.38
    ACD/BCF (pH 7.4): 6.53
    ACD/KOC (pH 7.4): 133.39
    Polar Surface Area: 55 Å2
    Polarizability: 15.9±0.5 10-24cm3
    Surface Tension: 44.3±3.0 dyne/cm
    Molar Volume: 135.9±3.0 cm3

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