ChemSpider 2D Image | 5-Iodo-3-isopropoxy-1-methyl-1H-indazole | C11H13IN2O

5-Iodo-3-isopropoxy-1-methyl-1H-indazole

  • Molecular FormulaC11H13IN2O
  • Average mass316.138 Da
  • Monoisotopic mass316.007263 Da
  • ChemSpider ID35515728

More details:

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

1H-Indazole, 5-iodo-1-methyl-3-(1-methylethoxy)- [ACD/Index Name]
5-Iod-3-isopropoxy-1-methyl-1H-indazol [German] [ACD/IUPAC Name]
5-Iodo-3-isopropoxy-1-methyl-1H-indazole [ACD/IUPAC Name]
5-Iodo-3-isopropoxy-1-méthyl-1H-indazole [French] [ACD/IUPAC Name]
1986819-78-6 [RN]
5-iodo-1-methyl-3-propan-2-yloxyindazole
MFCD28579526

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 373.8±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.7±3.0 kJ/mol
    Flash Point: 179.9±22.3 °C
    Index of Refraction: 1.644
    Molar Refractivity: 68.6±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.06
    ACD/LogD (pH 5.5): 3.61
    ACD/BCF (pH 5.5): 328.47
    ACD/KOC (pH 5.5): 2202.41
    ACD/LogD (pH 7.4): 3.61
    ACD/BCF (pH 7.4): 328.50
    ACD/KOC (pH 7.4): 2202.64
    Polar Surface Area: 27 Å2
    Polarizability: 27.2±0.5 10-24cm3
    Surface Tension: 42.0±7.0 dyne/cm
    Molar Volume: 189.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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