ChemSpider 2D Image | 2-[4-(4-Iodophenyl)-1H-pyrazol-1-yl]ethanol | C11H11IN2O

2-[4-(4-Iodophenyl)-1H-pyrazol-1-yl]ethanol

  • Molecular FormulaC11H11IN2O
  • Average mass314.122 Da
  • Monoisotopic mass313.991608 Da
  • ChemSpider ID35485565

More details:

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

1H-Pyrazole-1-ethanol, 4-(4-iodophenyl)- [ACD/Index Name]
2-[4-(4-Iodophenyl)-1H-pyrazol-1-yl]ethanol [ACD/IUPAC Name]
2-[4-(4-Iodophényl)-1H-pyrazol-1-yl]éthanol [French] [ACD/IUPAC Name]
2-[4-(4-Iodphenyl)-1H-pyrazol-1-yl]ethanol [German] [ACD/IUPAC Name]
1394021-62-5 [RN]
2-[4-(4-iodophenyl)pyrazol-1-yl]ethanol
2-[4-(4-Iodo-phenyl)-pyrazol-1-yl]-ethanol
MFCD22385336

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 431.6±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.4±3.0 kJ/mol
    Flash Point: 214.8±27.3 °C
    Index of Refraction: 1.673
    Molar Refractivity: 68.7±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.50
    ACD/LogD (pH 5.5): 2.35
    ACD/BCF (pH 5.5): 36.03
    ACD/KOC (pH 5.5): 452.81
    ACD/LogD (pH 7.4): 2.35
    ACD/BCF (pH 7.4): 36.04
    ACD/KOC (pH 7.4): 452.83
    Polar Surface Area: 38 Å2
    Polarizability: 27.2±0.5 10-24cm3
    Surface Tension: 52.1±7.0 dyne/cm
    Molar Volume: 183.1±7.0 cm3

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