ChemSpider 2D Image | 3-BROMO-1H-PYRAZOLO[3,4-B]PYRAZINE | C5H3BrN4

3-BROMO-1H-PYRAZOLO[3,4-B]PYRAZINE

  • Molecular FormulaC5H3BrN4
  • Average mass199.008 Da
  • Monoisotopic mass197.954102 Da
  • ChemSpider ID23347053

More details:

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

1H-Pyrazolo[3,4-b]pyrazine, 3-bromo- [ACD/Index Name]
3-Brom-1H-pyrazolo[3,4-b]pyrazin [German] [ACD/IUPAC Name]
3-Bromo-1H-pyrazolo[3,4-b]pyrazine [French] [ACD/IUPAC Name]
3-BROMO-1H-PYRAZOLO[3,4-B]PYRAZINE [ACD/IUPAC Name]
81411-68-9 [RN]
3-BROMO-1H-PYRAZOLO(3,4-B)PYRAZINE
3-bromo-1h-pyrazolo[4,3-b]pyrazine
3-BROMO-2H-PYRAZOLO[3,4-B]PYRAZINE
3-Bromo-4,7-diaza-1H-indazole
MFCD09834831
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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: 378.9±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.2±3.0 kJ/mol
    Flash Point: 183.0±26.5 °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: 0.60
    ACD/LogD (pH 5.5): 0.00
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 9.69
    ACD/LogD (pH 7.4): -1.07
    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

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