ChemSpider 2D Image | 3-Chloro-5-isopropyl-1,2,4-oxadiazole | C5H7ClN2O

3-Chloro-5-isopropyl-1,2,4-oxadiazole

  • Molecular FormulaC5H7ClN2O
  • Average mass146.575 Da
  • Monoisotopic mass146.024689 Da
  • ChemSpider ID25070818

More details:

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

1,2,4-Oxadiazole, 3-chloro-5-(1-methylethyl)- [ACD/Index Name]
1243250-26-1 [RN]
3-Chlor-5-isopropyl-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
3-Chloro-5-(1-methylethyl)-1,2,4-oxadiazole
3-Chloro-5-isopropyl-1,2,4-oxadiazole [ACD/IUPAC Name]
3-Chloro-5-isopropyl-1,2,4-oxadiazole [French] [ACD/IUPAC Name]
3-chloro-5-isopropyl-1,2,4-oxadiazole(SALTDATA: FREE)
3-chloro-5-propan-2-yl-1,2,4-oxadiazole
95%
MFCD17078886 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 207.7±23.0 °C at 760 mmHg
    Vapour Pressure: 0.3±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 42.6±3.0 kJ/mol
    Flash Point: 79.4±22.6 °C
    Index of Refraction: 1.472
    Molar Refractivity: 33.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.66
    ACD/LogD (pH 5.5): 1.31
    ACD/BCF (pH 5.5): 5.84
    ACD/KOC (pH 5.5): 123.16
    ACD/LogD (pH 7.4): 1.31
    ACD/BCF (pH 7.4): 5.84
    ACD/KOC (pH 7.4): 123.16
    Polar Surface Area: 39 Å2
    Polarizability: 13.4±0.5 10-24cm3
    Surface Tension: 38.4±3.0 dyne/cm
    Molar Volume: 120.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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