ChemSpider 2D Image | 4-Chloro-1-(2-fluoroethyl)-1H-pyrazole-3-carboxylic acid | C6H6ClFN2O2

4-Chloro-1-(2-fluoroethyl)-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC6H6ClFN2O2
  • Average mass192.575 Da
  • Monoisotopic mass192.010178 Da
  • ChemSpider ID32843722

More details:

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

1429417-52-6 [RN]
1H-Pyrazole-3-carboxylic acid, 4-chloro-1-(2-fluoroethyl)- [ACD/Index Name]
4-Chlor-1-(2-fluorethyl)-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
4-Chloro-1-(2-fluoroethyl)-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 4-chloro-1-(2-fluoroéthyl)-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
4-Chloro-1-(2-fluoro-ethyl)-1H-pyrazole-3-carboxylic acid
4-chloro-1-(2-fluoroethyl)pyrazole-3-carboxylic acid
MFCD25371356

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 355.5±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 63.4±3.0 kJ/mol
    Flash Point: 168.8±25.1 °C
    Index of Refraction: 1.579
    Molar Refractivity: 40.8±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.48
    ACD/LogD (pH 5.5): -1.60
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.10
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 55 Å2
    Polarizability: 16.2±0.5 10-24cm3
    Surface Tension: 49.2±7.0 dyne/cm
    Molar Volume: 122.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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