ChemSpider 2D Image | 2-(4-iodopyrazol-1-yl)acetaldehyde | C5H5IN2O

2-(4-iodopyrazol-1-yl)acetaldehyde

  • Molecular FormulaC5H5IN2O
  • Average mass236.010 Da
  • Monoisotopic mass235.944641 Da
  • ChemSpider ID21801481

More details:

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

(4-Iod-1H-pyrazol-1-yl)acetaldehyd [German] [ACD/IUPAC Name]
(4-Iodo-1H-pyrazol-1-yl)acetaldehyde [ACD/IUPAC Name]
(4-Iodo-1H-pyrazol-1-yl)acétaldéhyde [French] [ACD/IUPAC Name]
1172074-04-2 [RN]
1H-Pyrazole-1-acetaldehyde, 4-iodo- [ACD/Index Name]
2-(4-iodo-1H-pyrazol-1-yl)acetaldehyde
2-(4-iodopyrazol-1-yl)acetaldehyde
(4-Iodopyrazol-1-yl)acetaldehyde
(4-Iodopyrazol-1-yl)-acetaldehyde
(4-Iodo-pyrazol-1-yl)-acetaldehyde
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 2.1±0.1 g/cm3
    Boiling Point: 288.7±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.8±3.0 kJ/mol
    Flash Point: 128.4±21.8 °C
    Index of Refraction: 1.684
    Molar Refractivity: 43.5±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.32
    ACD/LogD (pH 5.5): 1.27
    ACD/BCF (pH 5.5): 5.47
    ACD/KOC (pH 5.5): 117.38
    ACD/LogD (pH 7.4): 1.27
    ACD/BCF (pH 7.4): 5.47
    ACD/KOC (pH 7.4): 117.38
    Polar Surface Area: 35 Å2
    Polarizability: 17.3±0.5 10-24cm3
    Surface Tension: 56.9±7.0 dyne/cm
    Molar Volume: 114.7±7.0 cm3

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