ChemSpider 2D Image | 4-Iodo-1-isopropyl-1H-pyrazole-3-carboxylic acid | C7H9IN2O2

4-Iodo-1-isopropyl-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC7H9IN2O2
  • Average mass280.063 Da
  • Monoisotopic mass279.970856 Da
  • ChemSpider ID26457263

More details:

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

1217862-82-2 [RN]
1H-Pyrazole-3-carboxylic acid, 4-iodo-1-(1-methylethyl)- [ACD/Index Name]
4-Iod-1-isopropyl-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
4-IODO-1-(PROPAN-2-YL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
4-Iodo-1-isopropyl-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 4-iodo-1-isopropyl-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
1H-pyrazole-3-carboxylic acid, 4-iodo-1-(1-methylethyl)
4-iodo-1-(methylethyl)pyrazole-3-carboxylic acid
4-iodo-1-isopropylpyrazole-3-carboxylic acid
4-iodo-1-propan-2-ylpyrazole-3-carboxylic acid
More...

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

    Density: 2.0±0.1 g/cm3
    Boiling Point: 355.7±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 63.4±3.0 kJ/mol
    Flash Point: 168.9±23.7 °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: 1.14
    ACD/LogD (pH 5.5): -0.77
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.35
    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


    Advertisement