ChemSpider 2D Image | 5-(Bromomethyl)-2-(4-chlorophenyl)-1,3-benzoxazole | C14H9BrClNO

5-(Bromomethyl)-2-(4-chlorophenyl)-1,3-benzoxazole

  • Molecular FormulaC14H9BrClNO
  • Average mass322.584 Da
  • Monoisotopic mass320.955597 Da
  • ChemSpider ID35509592

More details:

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

5-(Brommethyl)-2-(4-chlorphenyl)-1,3-benzoxazol [German] [ACD/IUPAC Name]
5-(Bromomethyl)-2-(4-chlorophenyl)-1,3-benzoxazole [ACD/IUPAC Name]
5-(Bromométhyl)-2-(4-chlorophényl)-1,3-benzoxazole [French] [ACD/IUPAC Name]
Benzoxazole, 5-(bromomethyl)-2-(4-chlorophenyl)- [ACD/Index Name]
5-Bromomethyl-2-(4-chloro-phenyl)-benzooxazole
MFCD28249989

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 396.3±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.1±3.0 kJ/mol
    Flash Point: 193.5±23.7 °C
    Index of Refraction: 1.665
    Molar Refractivity: 76.6±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 5.48
    ACD/LogD (pH 5.5): 5.04
    ACD/BCF (pH 5.5): 3986.35
    ACD/KOC (pH 5.5): 13148.77
    ACD/LogD (pH 7.4): 5.04
    ACD/BCF (pH 7.4): 3986.36
    ACD/KOC (pH 7.4): 13148.81
    Polar Surface Area: 26 Å2
    Polarizability: 30.4±0.5 10-24cm3
    Surface Tension: 53.3±3.0 dyne/cm
    Molar Volume: 206.3±3.0 cm3

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