ChemSpider 2D Image | 3-Nitro-1H-pyrazole-5-carbonitrile | C4H2N4O2

3-Nitro-1H-pyrazole-5-carbonitrile

  • Molecular FormulaC4H2N4O2
  • Average mass138.084 Da
  • Monoisotopic mass138.017776 Da
  • ChemSpider ID26520671

More details:

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

1204246-72-9 [RN]
1H-Pyrazole-5-carbonitrile, 3-nitro- [ACD/Index Name]
3-Nitro-1H-pyrazol-5-carbonitril [German] [ACD/IUPAC Name]
3-Nitro-1H-pyrazole-5-carbonitrile [ACD/IUPAC Name]
3-Nitro-1H-pyrazole-5-carbonitrile [French] [ACD/IUPAC Name]
5-NITRO-2H-PYRAZOLE-3-CARBONITRILE
1204046-72-9 [RN]
3-nitropyrazole-5-carbonitrile
5-nitro-1H-pyrazole-3-carbonitrile
AGN-PC-0DA5Z0
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 392.0±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.2±3.0 kJ/mol
    Flash Point: 190.8±23.7 °C
    Index of Refraction: 1.603
    Molar Refractivity: 29.1±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.39
    ACD/LogD (pH 5.5): -1.26
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.75
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 98 Å2
    Polarizability: 11.5±0.5 10-24cm3
    Surface Tension: 98.9±5.0 dyne/cm
    Molar Volume: 84.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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