ChemSpider 2D Image | 4-Acetyl-3-iodo-1-isopropyl-1H-pyrazole | C8H11IN2O

4-Acetyl-3-iodo-1-isopropyl-1H-pyrazole

  • Molecular FormulaC8H11IN2O
  • Average mass278.090 Da
  • Monoisotopic mass277.991608 Da
  • ChemSpider ID45891883

More details:

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

1-(3-Iod-1-isopropyl-1H-pyrazol-4-yl)ethanon [German] [ACD/IUPAC Name]
1-(3-Iodo-1-isopropyl-1H-pyrazol-4-yl)ethanone [ACD/IUPAC Name]
1-(3-Iodo-1-isopropyl-1H-pyrazol-4-yl)éthanone [French] [ACD/IUPAC Name]
1-[3-Iodo-1-(1-methylethyl)-1H-pyrazol-4-yl]ethanone
1269440-49-4 [RN]
21251240 [Beilstein]
4-Acetyl-3-iodo-1-isopropyl-1H-pyrazole [ACD/IUPAC Name]
Ethanone, 1-[3-iodo-1-(1-methylethyl)-1H-pyrazol-4-yl]- [ACD/Index Name]
T5NNJ AY1&1 CI DV1 [WLN]
MFCD27942846 [MDL number]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 315.1±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.6±3.0 kJ/mol
    Flash Point: 144.4±23.7 °C
    Index of Refraction: 1.626
    Molar Refractivity: 56.8±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.82
    ACD/LogD (pH 5.5): 1.97
    ACD/BCF (pH 5.5): 18.38
    ACD/KOC (pH 5.5): 279.64
    ACD/LogD (pH 7.4): 1.97
    ACD/BCF (pH 7.4): 18.38
    ACD/KOC (pH 7.4): 279.64
    Polar Surface Area: 35 Å2
    Polarizability: 22.5±0.5 10-24cm3
    Surface Tension: 41.8±7.0 dyne/cm
    Molar Volume: 160.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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