ChemSpider 2D Image | Ethyl 5-iodo-1-methyl-1H-pyrazole-4-carboxylate | C7H9IN2O2

Ethyl 5-iodo-1-methyl-1H-pyrazole-4-carboxylate

  • Molecular FormulaC7H9IN2O2
  • Average mass280.063 Da
  • Monoisotopic mass279.970856 Da
  • ChemSpider ID34980040

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-iodo-1-methyl-, ethyl ester [ACD/Index Name]
5-Iodo-1-méthyl-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
754219-01-7 [RN]
Ethyl 5-iodo-1-methyl-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-iod-1-methyl-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
5-iodo-1-methyl-1h-pyrazole-4-carboxylic acid ethyl ester
DS-9534
ETHYL 5-IODO-1-METHYLPYRAZOLE-4-CARBOXYLATE
ethyl5-iodo-1-methyl-1H-pyrazole-4-carboxylate
MFCD21362331

    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: 1.94
    ACD/LogD (pH 5.5): 2.24
    ACD/BCF (pH 5.5): 29.95
    ACD/KOC (pH 5.5): 396.70
    ACD/LogD (pH 7.4): 2.24
    ACD/BCF (pH 7.4): 29.95
    ACD/KOC (pH 7.4): 396.70
    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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