ChemSpider 2D Image | Methyl 3-(4-iodo-1H-pyrazol-1-yl)propanoate | C7H9IN2O2

Methyl 3-(4-iodo-1H-pyrazol-1-yl)propanoate

  • Molecular FormulaC7H9IN2O2
  • Average mass280.063 Da
  • Monoisotopic mass279.970856 Da
  • ChemSpider ID28943037

More details:

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

1175275-82-7 [RN]
3-(4-Iodo-1H-pyrazol-1-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(4-iodo-1H-pyrazol-1-yl)propanoate [ACD/IUPAC Name]
Methyl-3-(4-iod-1H-pyrazol-1-yl)propanoat [German] [ACD/IUPAC Name]
1H-Pyrazole-1-propanoic acid, 4-iodo-, methyl ester [ACD/Index Name]
methyl 3-(4-iodopyrazol-1-yl)propanoate
MFCD20326730 [MDL number]

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 331.2±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.4±3.0 kJ/mol
    Flash Point: 154.1±22.3 °C
    Index of Refraction: 1.625
    Molar Refractivity: 54.0±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.82
    ACD/LogD (pH 5.5): 2.01
    ACD/BCF (pH 5.5): 19.81
    ACD/KOC (pH 5.5): 295.03
    ACD/LogD (pH 7.4): 2.01
    ACD/BCF (pH 7.4): 19.81
    ACD/KOC (pH 7.4): 295.03
    Polar Surface Area: 44 Å2
    Polarizability: 21.4±0.5 10-24cm3
    Surface Tension: 48.9±7.0 dyne/cm
    Molar Volume: 152.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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