ChemSpider 2D Image | 1-(3-Fluoropropyl)-1H-pyrazole-3-carboxylic acid | C7H9FN2O2

1-(3-Fluoropropyl)-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC7H9FN2O2
  • Average mass172.157 Da
  • Monoisotopic mass172.064804 Da
  • ChemSpider ID35488106

More details:

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

1-(3-Fluoropropyl)-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
1-(3-Fluorpropyl)-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
1H-Pyrazole-3-carboxylic acid, 1-(3-fluoropropyl)- [ACD/Index Name]
Acide 1-(3-fluoropropyl)-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
1-(3-Fluoro-propyl)-1H-pyrazole-3-carboxylic acid
1-(3-fluoropropyl)pyrazole-3-carboxylic acid
1511125-62-4 [RN]
AKOS019683139
MFCD24049576

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 342.3±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.8±3.0 kJ/mol
    Flash Point: 160.8±22.3 °C
    Index of Refraction: 1.543
    Molar Refractivity: 40.8±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.30
    ACD/LogD (pH 5.5): -0.70
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.41
    ACD/LogD (pH 7.4): -2.24
    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: 44.7±7.0 dyne/cm
    Molar Volume: 129.6±7.0 cm3

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