ChemSpider 2D Image | 1-Isopropyl-3,5-dinitro-1H-pyrazole | C6H8N4O4

1-Isopropyl-3,5-dinitro-1H-pyrazole

  • Molecular FormulaC6H8N4O4
  • Average mass200.152 Da
  • Monoisotopic mass200.054550 Da
  • ChemSpider ID26520673

More details:

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

1281984-45-9 [RN]
1H-Pyrazole, 1-(1-methylethyl)-3,5-dinitro- [ACD/Index Name]
1-Isopropyl-3,5-dinitro-1H-pyrazol [German] [ACD/IUPAC Name]
1-Isopropyl-3,5-dinitro-1H-pyrazole [ACD/IUPAC Name]
1-Isopropyl-3,5-dinitro-1H-pyrazole [French] [ACD/IUPAC Name]
T5NNJ AY1&1 CNW ENW [WLN]
1-(Methylethyl)-3,5-dinitropyrazole
60136460 [PubChem CID]
AGN-PC-0DA5Z4
AKOS015922639
More...

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 321.6±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 54.1±3.0 kJ/mol
    Flash Point: 148.3±22.3 °C
    Index of Refraction: 1.649
    Molar Refractivity: 45.6±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.78
    ACD/LogD (pH 5.5): 0.66
    ACD/BCF (pH 5.5): 1.86
    ACD/KOC (pH 5.5): 54.23
    ACD/LogD (pH 7.4): 0.66
    ACD/BCF (pH 7.4): 1.86
    ACD/KOC (pH 7.4): 54.23
    Polar Surface Area: 109 Å2
    Polarizability: 18.1±0.5 10-24cm3
    Surface Tension: 69.2±7.0 dyne/cm
    Molar Volume: 125.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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