ChemSpider 2D Image | 1-Ethyl-4-iodo-3-methyl-5-nitro-1H-pyrazole | C6H8IN3O2

1-Ethyl-4-iodo-3-methyl-5-nitro-1H-pyrazole

  • Molecular FormulaC6H8IN3O2
  • Average mass281.051 Da
  • Monoisotopic mass280.966125 Da
  • ChemSpider ID28603066

More details:

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

1354703-64-2 [RN]
1-Ethyl-4-iod-3-methyl-5-nitro-1H-pyrazol [German] [ACD/IUPAC Name]
1-Ethyl-4-iodo-3-methyl-5-nitro-1H-pyrazole [ACD/IUPAC Name]
1-Éthyl-4-iodo-3-méthyl-5-nitro-1H-pyrazole [French] [ACD/IUPAC Name]
1H-Pyrazole, 1-ethyl-4-iodo-3-methyl-5-nitro- [ACD/Index Name]
1004644-25-0 [RN]
1-ethyl-4-iodo-3-methyl-5-nitropyrazole
AGN-PC-0DA65W
AKOS015920909
MFCD24539576
More...

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

    Density: 2.0±0.1 g/cm3
    Boiling Point: 342.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.3±3.0 kJ/mol
    Flash Point: 160.8±27.9 °C
    Index of Refraction: 1.692
    Molar Refractivity: 52.6±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.22
    ACD/LogD (pH 5.5): 1.80
    ACD/BCF (pH 5.5): 13.78
    ACD/KOC (pH 5.5): 227.59
    ACD/LogD (pH 7.4): 1.80
    ACD/BCF (pH 7.4): 13.78
    ACD/KOC (pH 7.4): 227.59
    Polar Surface Area: 64 Å2
    Polarizability: 20.9±0.5 10-24cm3
    Surface Tension: 57.6±7.0 dyne/cm
    Molar Volume: 137.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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