ChemSpider 2D Image | 1-(4-Nitro-1H-pyrazol-5-yl)ethanone | C5H5N3O3

1-(4-Nitro-1H-pyrazol-5-yl)ethanone

  • Molecular FormulaC5H5N3O3
  • Average mass155.111 Da
  • Monoisotopic mass155.033096 Da
  • ChemSpider ID29738170

More details:

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

1-(4-Nitro-1H-pyrazol-5-yl)ethanon [German] [ACD/IUPAC Name]
1-(4-Nitro-1H-pyrazol-5-yl)ethanone [ACD/IUPAC Name]
1-(4-Nitro-1H-pyrazol-5-yl)éthanone [French] [ACD/IUPAC Name]
2228374-35-2 [RN]
Ethanone, 1-(4-nitro-1H-pyrazol-5-yl)- [ACD/Index Name]
1-(4-nitro-1H-pyrazol-3-yl)ethan-1-one
1-(4-nitro-1H-pyrazol-3-yl)ethanone
1-(4-NITRO-1H-PYRAZOL-5-YL)ETHAN-1-ONE
1-(4-NITRO-2H-PYRAZOL-3-YL)ETHANONE
DS-6516
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 402.1±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.3±3.0 kJ/mol
    Flash Point: 197.0±23.2 °C
    Index of Refraction: 1.593
    Molar Refractivity: 35.4±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.28
    ACD/LogD (pH 5.5): 0.24
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 30.96
    ACD/LogD (pH 7.4): -0.57
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.79
    Polar Surface Area: 92 Å2
    Polarizability: 14.0±0.5 10-24cm3
    Surface Tension: 69.9±3.0 dyne/cm
    Molar Volume: 104.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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