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

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

  • Molecular FormulaC14H9BrClNO
  • Average mass322.584 Da
  • Monoisotopic mass320.955597 Da
  • ChemSpider ID35503637

More details:

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

1706454-28-5 [RN]
5-(Brommethyl)-2-(3-chlorphenyl)-1,3-benzoxazol [German] [ACD/IUPAC Name]
5-(Bromomethyl)-2-(3-chlorophenyl)-1,3-benzoxazole [ACD/IUPAC Name]
5-(Bromométhyl)-2-(3-chlorophényl)-1,3-benzoxazole [French] [ACD/IUPAC Name]
Benzoxazole, 5-(bromomethyl)-2-(3-chlorophenyl)- [ACD/Index Name]
5-(Bromomethyl)-2-(3-chlorophenyl)benzo[d]oxazole
5-Bromomethyl-2-(3-chloro-phenyl)-benzooxazole
AKOS025130832
MFCD28102990

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 406.8±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.3±3.0 kJ/mol
    Flash Point: 199.8±24.6 °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: 5.51
    ACD/LogD (pH 5.5): 5.05
    ACD/BCF (pH 5.5): 4053.03
    ACD/KOC (pH 5.5): 13305.83
    ACD/LogD (pH 7.4): 5.05
    ACD/BCF (pH 7.4): 4053.04
    ACD/KOC (pH 7.4): 13305.88
    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

    Click to predict properties on the Chemicalize site


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