ChemSpider 2D Image | [3-(2-Bromobenzyl)-1,2,4-oxadiazol-5-yl]methanamine | C10H10BrN3O

[3-(2-Bromobenzyl)-1,2,4-oxadiazol-5-yl]methanamine

  • Molecular FormulaC10H10BrN3O
  • Average mass268.110 Da
  • Monoisotopic mass267.000702 Da
  • ChemSpider ID27791604

More details:

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

[3-(2-Bromobenzyl)-1,2,4-oxadiazol-5-yl]methanamine
1,2,4-Oxadiazole-5-methanamine, 3-[(2-bromophenyl)methyl]- [ACD/Index Name]
1-[3-(2-Brombenzyl)-1,2,4-oxadiazol-5-yl]methanamin [German] [ACD/IUPAC Name]
1-[3-(2-Bromobenzyl)-1,2,4-oxadiazol-5-yl]methanamine [ACD/IUPAC Name]
1-[3-(2-Bromobenzyl)-1,2,4-oxadiazol-5-yl]méthanamine [French] [ACD/IUPAC Name]
1341130-08-2 [RN]
1-{3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl}methanamine
MFCD17225871

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 405.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.7±3.0 kJ/mol
    Flash Point: 199.2±31.5 °C
    Index of Refraction: 1.607
    Molar Refractivity: 60.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.58
    ACD/LogD (pH 5.5): 0.51
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 18.59
    ACD/LogD (pH 7.4): 1.32
    ACD/BCF (pH 7.4): 5.82
    ACD/KOC (pH 7.4): 120.21
    Polar Surface Area: 65 Å2
    Polarizability: 23.9±0.5 10-24cm3
    Surface Tension: 56.1±3.0 dyne/cm
    Molar Volume: 174.3±3.0 cm3

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