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

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

  • Molecular FormulaC4H4ClN3O2
  • Average mass161.546 Da
  • Monoisotopic mass160.999207 Da
  • ChemSpider ID23041483

More details:

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

1,2,4-Oxadiazole-5-carboxamide, 3-(chloromethyl)- [ACD/Index Name]
25977-21-3 [RN]
3-(Chlormethyl)-1,2,4-oxadiazol-5-carboxamid [German] [ACD/IUPAC Name]
3-(Chloromethyl)-1,2,4-oxadiazole-5-carboxamide [ACD/IUPAC Name]
3-(Chlorométhyl)-1,2,4-oxadiazole-5-carboxamide [French] [ACD/IUPAC Name]
[25977-21-3] [RN]
1,2,4-oxadiazole-5-carboxamide, 3-(chloromethyl)
MFCD12198482 [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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