ChemSpider 2D Image | 1-ethyl-4-iodo-5-methylpyrazole-3-carboxylic acid | C7H9IN2O2

1-ethyl-4-iodo-5-methylpyrazole-3-carboxylic acid

  • Molecular FormulaC7H9IN2O2
  • Average mass280.063 Da
  • Monoisotopic mass279.970856 Da
  • ChemSpider ID28603061

More details:

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

1354705-26-2 [RN]
1-Ethyl-4-iod-5-methyl-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
1-Ethyl-4-iodo-5-methyl-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
1-ethyl-4-iodo-5-methylpyrazole-3-carboxylic acid
1H-Pyrazole-3-carboxylic acid, 1-ethyl-4-iodo-5-methyl- [ACD/Index Name]
Acide 1-éthyl-4-iodo-5-méthyl-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
AGN-PC-0DA65R
AKOS015920913
MFCD22192696
SBB074083

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

    Density: 2.0±0.1 g/cm3
    Boiling Point: 363.6±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.3±3.0 kJ/mol
    Flash Point: 173.7±27.9 °C
    Index of Refraction: 1.670
    Molar Refractivity: 53.2±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.25
    ACD/LogD (pH 5.5): -0.78
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.43
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 55 Å2
    Polarizability: 21.1±0.5 10-24cm3
    Surface Tension: 51.9±7.0 dyne/cm
    Molar Volume: 142.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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