ChemSpider 2D Image | 2-(3-Bromophenyl)-5-ethyl-1,3,4-oxadiazole | C10H9BrN2O

2-(3-Bromophenyl)-5-ethyl-1,3,4-oxadiazole

  • Molecular FormulaC10H9BrN2O
  • Average mass253.095 Da
  • Monoisotopic mass251.989822 Da
  • ChemSpider ID21473217

More details:

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

1,3,4-Oxadiazole, 2-(3-bromophenyl)-5-ethyl- [ACD/Index Name]
2-(3-Bromo-phenyl)-5-ethyl-[1,3,4]oxadiazole
2-(3-Bromophenyl)-5-ethyl-1,3,4-oxadiazole [ACD/IUPAC Name]
2-(3-Bromophényl)-5-éthyl-1,3,4-oxadiazole [French] [ACD/IUPAC Name]
2-(3-Bromphenyl)-5-ethyl-1,3,4-oxadiazol [German] [ACD/IUPAC Name]
957065-88-2 [RN]
[957065-88-2] [RN]
HC-6377
MFCD09878384 [MDL number]

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

CCRIS 4693 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 351.7±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.3±3.0 kJ/mol
    Flash Point: 166.5±28.4 °C
    Index of Refraction: 1.568
    Molar Refractivity: 56.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.07
    ACD/LogD (pH 5.5): 2.73
    ACD/BCF (pH 5.5): 69.90
    ACD/KOC (pH 5.5): 727.59
    ACD/LogD (pH 7.4): 2.73
    ACD/BCF (pH 7.4): 69.90
    ACD/KOC (pH 7.4): 727.59
    Polar Surface Area: 39 Å2
    Polarizability: 22.4±0.5 10-24cm3
    Surface Tension: 45.8±3.0 dyne/cm
    Molar Volume: 173.0±3.0 cm3

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