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Search term: MF = 'C_{12}H_{13}BrN_{2}O'
ChemSpider 2D Image | 2-(3-Bromophenyl)-5-tert-butyl-1,3,4-oxadiazole | C12H13BrN2O

2-(3-Bromophenyl)-5-tert-butyl-1,3,4-oxadiazole

  • Molecular FormulaC12H13BrN2O
  • Average mass281.148 Da
  • Monoisotopic mass280.021118 Da
  • ChemSpider ID21473212

More details:

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

1,3,4-Oxadiazole, 2-(3-bromophenyl)-5-(1,1-dimethylethyl)- [ACD/Index Name]
2-(3-Bromophenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazole
2-(3-Bromophenyl)-5-(2-methyl-2-propanyl)-1,3,4-oxadiazole [ACD/IUPAC Name]
2-(3-Bromophényl)-5-(2-méthyl-2-propanyl)-1,3,4-oxadiazole [French] [ACD/IUPAC Name]
2-(3-Bromophenyl)-5-(tert-butyl)-1,3,4-oxadiazole
2-(3-Bromophenyl)-5-tert-butyl-1,3,4-oxadiazole
2-(3-Bromphenyl)-5-(2-methyl-2-propanyl)-1,3,4-oxadiazol [German] [ACD/IUPAC Name]
957065-96-2 [RN]
[957065-96-2] [RN]
2-(3-Bromophenyl)-5-tert-Butyl 1,3,4-oxadiazole
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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: 1.4±0.1 g/cm3
    Boiling Point: 362.4±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 58.4±3.0 kJ/mol
    Flash Point: 173.0±28.4 °C
    Index of Refraction: 1.545
    Molar Refractivity: 65.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.77
    ACD/LogD (pH 5.5): 3.25
    ACD/BCF (pH 5.5): 172.64
    ACD/KOC (pH 5.5): 1389.81
    ACD/LogD (pH 7.4): 3.25
    ACD/BCF (pH 7.4): 172.64
    ACD/KOC (pH 7.4): 1389.81
    Polar Surface Area: 39 Å2
    Polarizability: 25.9±0.5 10-24cm3
    Surface Tension: 40.4±3.0 dyne/cm
    Molar Volume: 206.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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