ChemSpider 2D Image | 5-[2-(Bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole | C10H9BrN2O

5-[2-(Bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole

  • Molecular FormulaC10H9BrN2O
  • Average mass253.095 Da
  • Monoisotopic mass251.989822 Da
  • ChemSpider ID21472694

More details:

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

1,2,4-Oxadiazole, 5-[2-(bromomethyl)phenyl]-3-methyl- [ACD/Index Name]
5-[2-(Brommethyl)phenyl]-3-methyl-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
5-[2-(Bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole [ACD/IUPAC Name]
5-[2-(Bromométhyl)phényl]-3-méthyl-1,2,4-oxadiazole [French] [ACD/IUPAC Name]
892501-91-6 [RN]
MFCD09064955 [MDL number]
1,2,4-Oxadiazole,5-[2-(bromomethyl)phenyl]-3-methyl-
2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzyl bromide
2-(3-methyl-1,2,4-oxadiazol-5-yl)benzylbromide
5-(2-(Bromomethyl)phenyl)-3-methyl-1,2,4-oxadiazole
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 368.8±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.1±3.0 kJ/mol
    Flash Point: 176.9±28.4 °C
    Index of Refraction: 1.584
    Molar Refractivity: 56.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.66
    ACD/LogD (pH 5.5): 2.77
    ACD/BCF (pH 5.5): 74.41
    ACD/KOC (pH 5.5): 760.92
    ACD/LogD (pH 7.4): 2.77
    ACD/BCF (pH 7.4): 74.41
    ACD/KOC (pH 7.4): 760.92
    Polar Surface Area: 39 Å2
    Polarizability: 22.5±0.5 10-24cm3
    Surface Tension: 49.2±3.0 dyne/cm
    Molar Volume: 169.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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