Found 313 results

Search term: MF = 'C_{6}H_{9}BrN_{2}O'
ChemSpider 2D Image | 3-(Bromomethyl)-5-isopropyl-1,2,4-oxadiazole | C6H9BrN2O

3-(Bromomethyl)-5-isopropyl-1,2,4-oxadiazole

  • Molecular FormulaC6H9BrN2O
  • Average mass205.053 Da
  • Monoisotopic mass203.989822 Da
  • ChemSpider ID28542492

More details:

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

1,2,4-Oxadiazole, 3-(bromomethyl)-5-(1-methylethyl)- [ACD/Index Name]
1312700-11-0 [RN]
3-(Brommethyl)-5-isopropyl-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
3-(bromomethyl)-5-(propan-2-yl)-1,2,4-oxadiazole
3-(Bromomethyl)-5-isopropyl-1,2,4-oxadiazole [ACD/IUPAC Name]
3-(Bromométhyl)-5-isopropyl-1,2,4-oxadiazole [French] [ACD/IUPAC Name]
MFCD22422035 [MDL number]
1,2,4-oxadiazole, 3-(bromomethyl)-5-(1-methylethyl)
3-(bromomethyl)-5-propan-2-yl-1,2,4-oxadiazole

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 244.5±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 46.2±3.0 kJ/mol
    Flash Point: 101.7±27.9 °C
    Index of Refraction: 1.513
    Molar Refractivity: 41.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.35
    ACD/LogD (pH 5.5): 1.72
    ACD/BCF (pH 5.5): 11.87
    ACD/KOC (pH 5.5): 204.47
    ACD/LogD (pH 7.4): 1.72
    ACD/BCF (pH 7.4): 11.87
    ACD/KOC (pH 7.4): 204.47
    Polar Surface Area: 39 Å2
    Polarizability: 16.5±0.5 10-24cm3
    Surface Tension: 42.8±3.0 dyne/cm
    Molar Volume: 138.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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