ChemSpider 2D Image | ethyl 4-iodo-1-methylpyrazole-3-carboxylate | C7H9IN2O2

ethyl 4-iodo-1-methylpyrazole-3-carboxylate

  • Molecular FormulaC7H9IN2O2
  • Average mass280.063 Da
  • Monoisotopic mass279.970856 Da
  • ChemSpider ID28604462

More details:

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

1354705-40-0 [RN]
1H-Pyrazole-3-carboxylic acid, 4-iodo-1-methyl-, ethyl ester [ACD/Index Name]
4-Iodo-1-méthyl-1H-pyrazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-iodo-1-methyl-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
ethyl 4-iodo-1-methylpyrazole-3-carboxylate
Ethyl-4-iod-1-methyl-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
4-Iodo-1-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
88529-79-7 [RN]
AGN-PC-0GX664
AKOS015920926
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.8±0.1 g/cm3
    Boiling Point: 307.0±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 54.8±3.0 kJ/mol
    Flash Point: 139.4±22.3 °C
    Index of Refraction: 1.627
    Molar Refractivity: 53.8±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.37
    ACD/LogD (pH 5.5): 1.94
    ACD/BCF (pH 5.5): 17.49
    ACD/KOC (pH 5.5): 269.94
    ACD/LogD (pH 7.4): 1.94
    ACD/BCF (pH 7.4): 17.49
    ACD/KOC (pH 7.4): 269.94
    Polar Surface Area: 44 Å2
    Polarizability: 21.3±0.5 10-24cm3
    Surface Tension: 46.4±7.0 dyne/cm
    Molar Volume: 151.8±7.0 cm3

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