ChemSpider 2D Image | 1-(2-Methoxyethyl)-4-nitro-1H-pyrazole | C6H9N3O3

1-(2-Methoxyethyl)-4-nitro-1H-pyrazole

  • Molecular FormulaC6H9N3O3
  • Average mass171.154 Da
  • Monoisotopic mass171.064392 Da
  • ChemSpider ID29809142

More details:






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

1-(2-Methoxyethyl)-4-nitro-1H-pyrazol [German] [ACD/IUPAC Name]
1-(2-Methoxyethyl)-4-nitro-1H-pyrazole [ACD/IUPAC Name]
1-(2-Méthoxyéthyl)-4-nitro-1H-pyrazole [French] [ACD/IUPAC Name]
1H-Pyrazole, 1-(2-methoxyethyl)-4-nitro- [ACD/Index Name]
948570-75-0 [RN]
[948570-75-0] [RN]
1-(2-Methoxyethyl)-4-nitropyrazole
1-?(2-?methoxyethyl)?-?4-?nitro-1H-?Pyrazole
atoms 12 bonds 12
DS-10308
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.3±0.1 g/cm3
    Boiling Point: 290.1±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 50.8±3.0 kJ/mol
    Flash Point: 129.2±21.8 °C
    Index of Refraction: 1.567
    Molar Refractivity: 41.5±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.45
    ACD/LogD (pH 5.5): 0.86
    ACD/BCF (pH 5.5): 2.66
    ACD/KOC (pH 5.5): 70.16
    ACD/LogD (pH 7.4): 0.86
    ACD/BCF (pH 7.4): 2.66
    ACD/KOC (pH 7.4): 70.16
    Polar Surface Area: 73 Å2
    Polarizability: 16.5±0.5 10-24cm3
    Surface Tension: 52.6±7.0 dyne/cm
    Molar Volume: 127.1±7.0 cm3

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