ChemSpider 2D Image | 1-Benzyl-5-(difluoromethoxy)-1H-pyrazole-3-carboxylic acid | C12H10F2N2O3

1-Benzyl-5-(difluoromethoxy)-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC12H10F2N2O3
  • Average mass268.216 Da
  • Monoisotopic mass268.065948 Da
  • ChemSpider ID35492114

More details:

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

1710661-08-7 [RN]
1-Benzyl-5-(difluormethoxy)-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
1-Benzyl-5-(difluoromethoxy)-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
1H-Pyrazole-3-carboxylic acid, 5-(difluoromethoxy)-1-(phenylmethyl)- [ACD/Index Name]
Acide 1-benzyl-5-(difluorométhoxy)-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
1-benzyl-5-(difluoromethoxy)pyrazole-3-carboxylic acid
1-Benzyl-5-difluoromethoxy-1H-pyrazole-3-carboxylic acid
MFCD26129312

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 450.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.7±3.0 kJ/mol
    Flash Point: 226.1±28.7 °C
    Index of Refraction: 1.569
    Molar Refractivity: 62.6±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.86
    ACD/LogD (pH 5.5): 1.02
    ACD/BCF (pH 5.5): 1.45
    ACD/KOC (pH 5.5): 15.82
    ACD/LogD (pH 7.4): -0.36
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 64 Å2
    Polarizability: 24.8±0.5 10-24cm3
    Surface Tension: 44.2±7.0 dyne/cm
    Molar Volume: 191.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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