ChemSpider 2D Image | methyl 1-(2-fluoroethyl)pyrazole-3-carboxylate | C7H9FN2O2

methyl 1-(2-fluoroethyl)pyrazole-3-carboxylate

  • Molecular FormulaC7H9FN2O2
  • Average mass172.157 Da
  • Monoisotopic mass172.064804 Da
  • ChemSpider ID32033445

More details:

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

1-(2-Fluoroéthyl)-1H-pyrazole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
1429417-81-1 [RN]
1H-Pyrazole-3-carboxylic acid, 1-(2-fluoroethyl)-, methyl ester [ACD/Index Name]
Methyl 1-(2-fluoroethyl)-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
methyl 1-(2-fluoroethyl)pyrazole-3-carboxylate
Methyl-1-(2-fluorethyl)-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
1-(2-Fluoro-ethyl)-1H-pyrazole-3-carboxylic acid methyl ester
AKOS024255913
MFCD25371352
STL415264

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 259.0±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.7±3.0 kJ/mol
    Flash Point: 110.4±21.8 °C
    Index of Refraction: 1.509
    Molar Refractivity: 41.2±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.28
    ACD/LogD (pH 5.5): 0.57
    ACD/BCF (pH 5.5): 1.60
    ACD/KOC (pH 5.5): 48.65
    ACD/LogD (pH 7.4): 0.57
    ACD/BCF (pH 7.4): 1.60
    ACD/KOC (pH 7.4): 48.65
    Polar Surface Area: 44 Å2
    Polarizability: 16.3±0.5 10-24cm3
    Surface Tension: 37.4±7.0 dyne/cm
    Molar Volume: 138.0±7.0 cm3

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