ChemSpider 2D Image | 3-(2-bromophenyl)-5-Isoxazolemethanamine | C10H9BrN2O

3-(2-bromophenyl)-5-Isoxazolemethanamine

  • Molecular FormulaC10H9BrN2O
  • Average mass253.095 Da
  • Monoisotopic mass251.989822 Da
  • ChemSpider ID26831291

More details:

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

(3-(2-Bromophenyl)isoxazol-5-yl)methanamine
1-[3-(2-Bromophenyl)-1,2-oxazol-5-yl]methanamine [ACD/IUPAC Name]
1-[3-(2-Bromophényl)-1,2-oxazol-5-yl]méthanamine [French] [ACD/IUPAC Name]
1-[3-(2-Bromphenyl)-1,2-oxazol-5-yl]methanamin [German] [ACD/IUPAC Name]
3-(2-bromophenyl)-5-Isoxazolemethanamine
543713-38-8 [RN]
5-Isoxazolemethanamine, 3-(2-bromophenyl)- [ACD/Index Name]
[3-(2-bromophenyl)-1,2-oxazol-5-yl]methanamine
[543713-38-8] [RN]
C-(3-(2-BROMO-PHENYL)-ISOXAZOL-5-YL)-METHYLAMINE
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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: 375.4±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.3±3.0 kJ/mol
    Flash Point: 180.9±25.1 °C
    Index of Refraction: 1.604
    Molar Refractivity: 57.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.12
    ACD/LogD (pH 5.5): -0.78
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.90
    ACD/BCF (pH 7.4): 2.17
    ACD/KOC (pH 7.4): 44.47
    Polar Surface Area: 52 Å2
    Polarizability: 22.7±0.5 10-24cm3
    Surface Tension: 50.6±3.0 dyne/cm
    Molar Volume: 166.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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