ChemSpider 2D Image | 5-(Chloromethyl)-1,2,4-oxadiazole-3-carboxamide | C4H4ClN3O2

5-(Chloromethyl)-1,2,4-oxadiazole-3-carboxamide

  • Molecular FormulaC4H4ClN3O2
  • Average mass161.546 Da
  • Monoisotopic mass160.999207 Da
  • ChemSpider ID23041467

More details:

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

1,2,4-Oxadiazole-3-carboxamide, 5-(chloromethyl)- [ACD/Index Name]
34879-29-3 [RN]
5-(Chlormethyl)-1,2,4-oxadiazol-3-carboxamid [German] [ACD/IUPAC Name]
5-(Chloromethyl)-1,2,4-oxadiazole-3-carboxamide [ACD/IUPAC Name]
5-(Chlorométhyl)-1,2,4-oxadiazole-3-carboxamide [French] [ACD/IUPAC Name]
MFCD12198474 [MDL number]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 327.2±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.9±3.0 kJ/mol
    Flash Point: 151.7±28.4 °C
    Index of Refraction: 1.549
    Molar Refractivity: 33.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.90
    ACD/LogD (pH 5.5): -0.52
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 12.44
    ACD/LogD (pH 7.4): -0.52
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 12.44
    Polar Surface Area: 82 Å2
    Polarizability: 13.3±0.5 10-24cm3
    Surface Tension: 65.8±3.0 dyne/cm
    Molar Volume: 105.1±3.0 cm3

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