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

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

  • Molecular FormulaC12H13BrN2O
  • Average mass281.148 Da
  • Monoisotopic mass280.021118 Da
  • ChemSpider ID21473215

More details:

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

1,3,4-Oxadiazole, 2-(3-bromophenyl)-5-butyl- [ACD/Index Name]
2-(3-Bromo-phenyl)-5-butyl-[1,3,4]oxadiazole
2-(3-Bromophenyl)-5-butyl-1,3,4-oxadiazole [ACD/IUPAC Name]
2-(3-Bromophényl)-5-butyl-1,3,4-oxadiazole [French] [ACD/IUPAC Name]
2-(3-Bromphenyl)-5-butyl-1,3,4-oxadiazol [German] [ACD/IUPAC Name]
957065-94-0 [RN]
[957065-94-0] [RN]
HC-6400
MFCD09878392 [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: 1.4±0.1 g/cm3
    Boiling Point: 375.6±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.9±3.0 kJ/mol
    Flash Point: 181.0±28.4 °C
    Index of Refraction: 1.552
    Molar Refractivity: 65.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.13
    ACD/LogD (pH 5.5): 3.39
    ACD/BCF (pH 5.5): 224.09
    ACD/KOC (pH 5.5): 1675.08
    ACD/LogD (pH 7.4): 3.39
    ACD/BCF (pH 7.4): 224.09
    ACD/KOC (pH 7.4): 1675.08
    Polar Surface Area: 39 Å2
    Polarizability: 26.1±0.5 10-24cm3
    Surface Tension: 43.7±3.0 dyne/cm
    Molar Volume: 206.0±3.0 cm3

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