ChemSpider 2D Image | 3-Bromo-7-oxo-1,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid | C7H4BrN3O3

3-Bromo-7-oxo-1,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid

  • Molecular FormulaC7H4BrN3O3
  • Average mass258.029 Da
  • Monoisotopic mass256.943604 Da
  • ChemSpider ID45649884

More details:

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

3-Brom-7-oxo-1,7-dihydropyrazolo[1,5-a]pyrimidin-6-carbonsäure [German] [ACD/IUPAC Name]
3-Bromo-7-oxo-1,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid [ACD/IUPAC Name]
Acide 3-bromo-7-oxo-1,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylique [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 3-bromo-1,7-dihydro-7-oxo- [ACD/Index Name]
1198475-37-4 [RN]
2092462-88-7 [RN]
3-Bromo-7-hydroxypyrazolo[1,5-a]pyrimidine-6-carboxylic acid [ACD/IUPAC Name]
3-bromo-7-oxo-1H,7H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

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

    Density: 2.3±0.1 g/cm3
    Boiling Point: 376.7±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 68.6±6.0 kJ/mol
    Flash Point: 181.6±30.7 °C
    Index of Refraction: 1.837
    Molar Refractivity: 49.9±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.36
    ACD/LogD (pH 5.5): -3.16
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.94
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 82 Å2
    Polarizability: 19.8±0.5 10-24cm3
    Surface Tension: 91.6±7.0 dyne/cm
    Molar Volume: 112.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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