ChemSpider 2D Image | 1-(2,2-Dimethoxypropyl)-4-nitro-1H-pyrazole | C8H13N3O4

1-(2,2-Dimethoxypropyl)-4-nitro-1H-pyrazole

  • Molecular FormulaC8H13N3O4
  • Average mass215.206 Da
  • Monoisotopic mass215.090607 Da
  • ChemSpider ID26497824

More details:






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

1-(2,2-Dimethoxypropyl)-4-nitro-1H-pyrazol [German] [ACD/IUPAC Name]
1-(2,2-Dimethoxypropyl)-4-nitro-1H-pyrazole [ACD/IUPAC Name]
1-(2,2-Diméthoxypropyl)-4-nitro-1H-pyrazole [French] [ACD/IUPAC Name]
1240569-09-8 [RN]
1H-Pyrazole, 1-(2,2-dimethoxypropyl)-4-nitro- [ACD/Index Name]
1-(2,2-dimethoxypropyl)-4-nitropyrazole
atoms 15 bonds 15
MFCD16810754

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.3±0.1 g/cm3
    Boiling Point: 318.3±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 53.8±3.0 kJ/mol
    Flash Point: 146.3±26.5 °C
    Index of Refraction: 1.529
    Molar Refractivity: 52.3±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.28
    ACD/LogD (pH 5.5): 1.35
    ACD/BCF (pH 5.5): 6.27
    ACD/KOC (pH 5.5): 129.53
    ACD/LogD (pH 7.4): 1.35
    ACD/BCF (pH 7.4): 6.27
    ACD/KOC (pH 7.4): 129.53
    Polar Surface Area: 82 Å2
    Polarizability: 20.7±0.5 10-24cm3
    Surface Tension: 44.7±7.0 dyne/cm
    Molar Volume: 169.5±7.0 cm3

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