ChemSpider 2D Image | 3-Bromo-1H-pyrazolo[3,4-d]pyrimidine | C5H3BrN4

3-Bromo-1H-pyrazolo[3,4-d]pyrimidine

  • Molecular FormulaC5H3BrN4
  • Average mass199.008 Da
  • Monoisotopic mass197.954102 Da
  • ChemSpider ID24598695

More details:

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

1251033-27-8 [RN]
1H-pyrazolo[3,4-d]pyrimidine, 3-bromo- [ACD/Index Name]
3-Brom-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
3-Bromo-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
3-Bromo-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]
[1251033-27-8] [RN]
[3-(benzylcarbamoyl)-5-nitro-phenyl]boronic acid
3-bromo-2H-pyrazolo[3,4-d]pyrimidine
AB70431
AGN-PC-09TR5B
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 2.0±0.1 g/cm3
    Boiling Point: 373.1±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.6±3.0 kJ/mol
    Flash Point: 179.5±22.3 °C
    Index of Refraction: 1.767
    Molar Refractivity: 40.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 0.33
    ACD/LogD (pH 5.5): 0.02
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 16.75
    ACD/LogD (pH 7.4): -1.33
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 54 Å2
    Polarizability: 16.1±0.5 10-24cm3
    Surface Tension: 93.2±3.0 dyne/cm
    Molar Volume: 97.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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