ChemSpider 2D Image | 2-(4-iodo-3-methylpyrazol-1-yl)propanoic acid | C7H9IN2O2

2-(4-iodo-3-methylpyrazol-1-yl)propanoic acid

  • Molecular FormulaC7H9IN2O2
  • Average mass280.063 Da
  • Monoisotopic mass279.970856 Da
  • ChemSpider ID28604448

More details:

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

1354707-03-1 [RN]
1H-Pyrazole-1-acetic acid, 4-iodo-α,3-dimethyl- [ACD/Index Name]
2-(4-Iod-3-methyl-1H-pyrazol-1-yl)propansäure [German] [ACD/IUPAC Name]
2-(4-Iodo-3-methyl-1H-pyrazol-1-yl)propanoic acid [ACD/IUPAC Name]
2-(4-iodo-3-methylpyrazol-1-yl)propanoic acid
Acide 2-(4-iodo-3-méthyl-1H-pyrazol-1-yl)propanoïque [French] [ACD/IUPAC Name]
2-(4-Iodo-3-methyl-pyrazol-1-yl)-propionic acid
AGN-PC-0GX61Q
AKOS015920500
MFCD03419634

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

    Density: 2.0±0.1 g/cm3
    Boiling Point: 371.2±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.2±3.0 kJ/mol
    Flash Point: 178.3±25.1 °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: 2.00
    ACD/LogD (pH 5.5): -0.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.81
    ACD/LogD (pH 7.4): -1.56
    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