ChemSpider 2D Image | 3-(4-iodopyrazol-1-yl)-2-methylpropanoic acid | C7H9IN2O2

3-(4-iodopyrazol-1-yl)-2-methylpropanoic acid

  • Molecular FormulaC7H9IN2O2
  • Average mass280.063 Da
  • Monoisotopic mass279.970856 Da
  • ChemSpider ID28603058

More details:

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

1354705-35-3 [RN]
1H-Pyrazole-1-propanoic acid, 4-iodo-α-methyl- [ACD/Index Name]
3-(4-Iod-1H-pyrazol-1-yl)-2-methylpropansäure [German] [ACD/IUPAC Name]
3-(4-Iodo-1H-pyrazol-1-yl)-2-methylpropanoic acid [ACD/IUPAC Name]
3-(4-iodopyrazol-1-yl)-2-methylpropanoic acid
Acide 3-(4-iodo-1H-pyrazol-1-yl)-2-méthylpropanoïque [French] [ACD/IUPAC Name]
197094-12-5 [RN]
3-(4-Iodo-pyrazol-1-yl)-2-methyl-propionic acid
3-(4-iodopyrazolyl)-2-methylpropanoic acid
AGN-PC-0DA65O
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 2.0±0.1 g/cm3
    Boiling Point: 390.6±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 67.5±3.0 kJ/mol
    Flash Point: 190.0±22.3 °C
    Index of Refraction: 1.667
    Molar Refractivity: 53.4±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.70
    ACD/LogD (pH 5.5): 0.39
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 10.46
    ACD/LogD (pH 7.4): -1.40
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 55 Å2
    Polarizability: 21.2±0.5 10-24cm3
    Surface Tension: 54.7±7.0 dyne/cm
    Molar Volume: 143.5±7.0 cm3

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