ChemSpider 2D Image | 3-Phenyl-1,2-benzoxazol-6-ol | C13H9NO2

3-Phenyl-1,2-benzoxazol-6-ol

  • Molecular FormulaC13H9NO2
  • Average mass211.216 Da
  • Monoisotopic mass211.063324 Da
  • ChemSpider ID23362618

More details:

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

1,2-Benzisoxazol-6-ol, 3-phenyl- [ACD/Index Name]
136741-67-8 [RN]
3-Phenyl-1,2-benzoxazol-6-ol [ACD/IUPAC Name]
3-Phenyl-1,2-benzoxazol-6-ol [German] [ACD/IUPAC Name]
3-Phényl-1,2-benzoxazol-6-ol [French] [ACD/IUPAC Name]
3-phenylbenzo[d]isoxazol-6-ol
3-Phenyl-benzo[d]isoxazol-6-ol
c13h9no2
MFCD14703671 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 426.6±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.8±3.0 kJ/mol
    Flash Point: 211.8±23.2 °C
    Index of Refraction: 1.670
    Molar Refractivity: 61.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.65
    ACD/LogD (pH 5.5): 2.89
    ACD/BCF (pH 5.5): 92.91
    ACD/KOC (pH 5.5): 891.67
    ACD/LogD (pH 7.4): 2.85
    ACD/BCF (pH 7.4): 85.14
    ACD/KOC (pH 7.4): 817.11
    Polar Surface Area: 46 Å2
    Polarizability: 24.2±0.5 10-24cm3
    Surface Tension: 56.5±3.0 dyne/cm
    Molar Volume: 163.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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