ChemSpider 2D Image | 3-Ethoxy-1-isopropyl-4-nitro-1H-pyrazole | C8H13N3O3

3-Ethoxy-1-isopropyl-4-nitro-1H-pyrazole

  • Molecular FormulaC8H13N3O3
  • Average mass199.207 Da
  • Monoisotopic mass199.095688 Da
  • ChemSpider ID28604704

More details:

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

1429417-89-9 [RN]
1H-Pyrazole, 3-ethoxy-1-(1-methylethyl)-4-nitro- [ACD/Index Name]
3-Ethoxy-1-isopropyl-4-nitro-1H-pyrazol [German] [ACD/IUPAC Name]
3-Ethoxy-1-isopropyl-4-nitro-1H-pyrazole [ACD/IUPAC Name]
3-Éthoxy-1-isopropyl-4-nitro-1H-pyrazole [French] [ACD/IUPAC Name]
3-ETHOXY-4-NITRO-1-(PROPAN-2-YL)-1H-PYRAZOLE
3-ETHOXY-1-ISOPROPYL-4-NITROPYRAZOLE
3-ethoxy-4-nitro-1-propan-2-ylpyrazole
AKOS024273245
MCULE-5953599195
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 316.3±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.5±3.0 kJ/mol
    Flash Point: 145.1±22.3 °C
    Index of Refraction: 1.552
    Molar Refractivity: 50.4±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.93
    ACD/LogD (pH 5.5): 1.72
    ACD/BCF (pH 5.5): 11.94
    ACD/KOC (pH 5.5): 205.32
    ACD/LogD (pH 7.4): 1.72
    ACD/BCF (pH 7.4): 11.94
    ACD/KOC (pH 7.4): 205.32
    Polar Surface Area: 73 Å2
    Polarizability: 20.0±0.5 10-24cm3
    Surface Tension: 43.3±7.0 dyne/cm
    Molar Volume: 157.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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