ChemSpider 2D Image | 3-Bromo-1H-pyrazole-4-carboxylic acid | C4H3BrN2O2

3-Bromo-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC4H3BrN2O2
  • Average mass190.983 Da
  • Monoisotopic mass189.937775 Da
  • ChemSpider ID30687974

More details:

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

1502986-45-9 [RN]
1H-Pyrazole-4-carboxylic acid, 3-bromo- [ACD/Index Name]
3-Brom-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
3-Bromo-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 3-bromo-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]
5-bromo-1H-pyrazole-4-carboxylic acid
MFCD22418036
MFCD28045181

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

    Density: 2.1±0.1 g/cm3
    Boiling Point: 450.4±30.0 °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: 226.2±24.6 °C
    Index of Refraction: 1.667
    Molar Refractivity: 33.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.97
    ACD/LogD (pH 5.5): -1.70
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.14
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 66 Å2
    Polarizability: 13.2±0.5 10-24cm3
    Surface Tension: 86.6±3.0 dyne/cm
    Molar Volume: 89.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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