ChemSpider 2D Image | 4-Iodo-1-isopropyl-5-methyl-3-phenyl-1H-pyrazole | C13H15IN2

4-Iodo-1-isopropyl-5-methyl-3-phenyl-1H-pyrazole

  • Molecular FormulaC13H15IN2
  • Average mass326.176 Da
  • Monoisotopic mass326.027985 Da
  • ChemSpider ID53619939

More details:

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

1H-Pyrazole, 4-iodo-5-methyl-1-(1-methylethyl)-3-phenyl- [ACD/Index Name]
4-Iod-1-isopropyl-5-methyl-3-phenyl-1H-pyrazol [German] [ACD/IUPAC Name]
4-Iodo-1-isopropyl-5-methyl-3-phenyl-1H-pyrazole [ACD/IUPAC Name]
4-Iodo-1-isopropyl-5-méthyl-3-phényl-1H-pyrazole [French] [ACD/IUPAC Name]
2098074-57-6 [RN]
MFCD30006805

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 363.9±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 58.6±3.0 kJ/mol
    Flash Point: 173.9±24.6 °C
    Index of Refraction: 1.628
    Molar Refractivity: 76.5±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.68
    ACD/LogD (pH 5.5): 4.45
    ACD/BCF (pH 5.5): 1413.51
    ACD/KOC (pH 5.5): 6260.10
    ACD/LogD (pH 7.4): 4.45
    ACD/BCF (pH 7.4): 1413.52
    ACD/KOC (pH 7.4): 6260.15
    Polar Surface Area: 18 Å2
    Polarizability: 30.3±0.5 10-24cm3
    Surface Tension: 39.7±7.0 dyne/cm
    Molar Volume: 215.4±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement