ChemSpider 2D Image | 3-(Chloromethyl)-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide | C6H8ClN3O2

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

  • Molecular FormulaC6H8ClN3O2
  • Average mass189.600 Da
  • Monoisotopic mass189.030502 Da
  • ChemSpider ID23041428

More details:

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

1,2,4-Oxadiazole-5-carboxamide, 3-(chloromethyl)-N,N-dimethyl- [ACD/Index Name]
1185320-35-7 [RN]
3-(Chlormethyl)-N,N-dimethyl-1,2,4-oxadiazol-5-carboxamid [German] [ACD/IUPAC Name]
3-(Chloromethyl)-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide [ACD/IUPAC Name]
3-(Chlorométhyl)-N,N-diméthyl-1,2,4-oxadiazole-5-carboxamide [French] [ACD/IUPAC Name]
MFCD12827471 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 281.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.1±3.0 kJ/mol
    Flash Point: 124.2±27.9 °C
    Index of Refraction: 1.517
    Molar Refractivity: 42.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.60
    ACD/LogD (pH 5.5): -0.03
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 22.98
    ACD/LogD (pH 7.4): -0.03
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 22.98
    Polar Surface Area: 59 Å2
    Polarizability: 17.0±0.5 10-24cm3
    Surface Tension: 49.3±3.0 dyne/cm
    Molar Volume: 141.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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