ChemSpider 2D Image | Methyl 5-(difluoromethyl)-1-isobutyl-1H-pyrazole-4-carboxylate | C10H14F2N2O2

Methyl 5-(difluoromethyl)-1-isobutyl-1H-pyrazole-4-carboxylate

  • Molecular FormulaC10H14F2N2O2
  • Average mass232.227 Da
  • Monoisotopic mass232.102341 Da
  • ChemSpider ID35490881

More details:

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

1443292-40-7 [RN]
1H-Pyrazole-4-carboxylic acid, 5-(difluoromethyl)-1-(2-methylpropyl)-, methyl ester [ACD/Index Name]
5-(Difluorométhyl)-1-isobutyl-1H-pyrazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
methyl 5-(difluoromethyl)-1-(2-methylpropyl)-1H-pyrazole-4-carboxylate
Methyl 5-(difluoromethyl)-1-isobutyl-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Methyl-5-(difluormethyl)-1-isobutyl-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
5-Difluoromethyl-1-isobutyl-1H-pyrazole-4-carboxylic acid methyl ester
methyl 5-(difluoromethyl)-1-(2-methylpropyl)pyrazole-4-carboxylate
MFCD25368604

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 310.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.1±3.0 kJ/mol
    Flash Point: 141.3±27.9 °C
    Index of Refraction: 1.493
    Molar Refractivity: 54.5±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.35
    ACD/LogD (pH 5.5): 2.26
    ACD/BCF (pH 5.5): 30.83
    ACD/KOC (pH 5.5): 405.02
    ACD/LogD (pH 7.4): 2.26
    ACD/BCF (pH 7.4): 30.83
    ACD/KOC (pH 7.4): 405.02
    Polar Surface Area: 44 Å2
    Polarizability: 21.6±0.5 10-24cm3
    Surface Tension: 30.9±7.0 dyne/cm
    Molar Volume: 187.6±7.0 cm3

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