ChemSpider 2D Image | Ethyl 3-iodo-4-methyl-1H-pyrazole-5-carboxylate | C7H9IN2O2

Ethyl 3-iodo-4-methyl-1H-pyrazole-5-carboxylate

  • Molecular FormulaC7H9IN2O2
  • Average mass280.063 Da
  • Monoisotopic mass279.970856 Da
  • ChemSpider ID38238704

More details:

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

1533442-28-2 [RN]
1H-Pyrazole-5-carboxylic acid, 3-iodo-4-methyl-, ethyl ester [ACD/Index Name]
3-Iodo-4-méthyl-1H-pyrazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-iodo-4-methyl-1H-pyrazole-5-carboxylate [ACD/IUPAC Name]
Ethyl-3-iod-4-methyl-1H-pyrazol-5-carboxylat [German] [ACD/IUPAC Name]
Ethyl 5-iodo-4-methyl-1H-pyrazole-3-carboxylate
ETHYL 5-IODO-4-METHYL-2H-PYRAZOLE-3-CARBOXYLATE
MFCD28134189

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 375.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.2±3.0 kJ/mol
    Flash Point: 180.6±27.9 °C
    Index of Refraction: 1.605
    Molar Refractivity: 52.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.50
    ACD/LogD (pH 5.5): 2.22
    ACD/BCF (pH 5.5): 28.62
    ACD/KOC (pH 5.5): 383.92
    ACD/LogD (pH 7.4): 2.21
    ACD/BCF (pH 7.4): 28.17
    ACD/KOC (pH 7.4): 377.96
    Polar Surface Area: 55 Å2
    Polarizability: 21.0±0.5 10-24cm3
    Surface Tension: 55.1±3.0 dyne/cm
    Molar Volume: 153.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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