ChemSpider 2D Image | 3-(Difluoromethyl)-5-fluoro-1-methyl-1H-pyrazole-4-carboxylic acid | C6H5F3N2O2

3-(Difluoromethyl)-5-fluoro-1-methyl-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC6H5F3N2O2
  • Average mass194.111 Da
  • Monoisotopic mass194.030319 Da
  • ChemSpider ID16241421

More details:

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

1255735-09-1 [RN]
1H-Pyrazole-4-carboxylic acid, 3-(difluoromethyl)-5-fluoro-1-methyl- [ACD/Index Name]
3-(Difluormethyl)-5-fluor-1-methyl-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
3-(Difluoromethyl)-5-fluoro-1-methyl-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 3-(difluorométhyl)-5-fluoro-1-méthyl-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]
3-(DIFLUOROMETHYL)-5-FLUORO-1-METHYLPYRAZOLE-4-CARBOXYLIC ACID
MFCD20646221

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

    Density: 1.6±0.0 g/cm3
    Boiling Point: 302.0±0.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.0 mmHg at 25°C
    Enthalpy of Vaporization: 57.3±0.0 kJ/mol
    Flash Point: 136.4±0.0 °C
    Index of Refraction: 1.515
    Molar Refractivity: 35.8±0.0 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.90
    ACD/LogD (pH 5.5): -2.02
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.25
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 55 Å2
    Polarizability: 14.2±0.0 10-24cm3
    Surface Tension: 35.5±0.0 dyne/cm
    Molar Volume: 118.5±0.0 cm3

    Click to predict properties on the Chemicalize site


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