ChemSpider 2D Image | 2-[3-(Bromomethyl)phenyl]-5-chloro-1,3-benzoxazole | C14H9BrClNO

2-[3-(Bromomethyl)phenyl]-5-chloro-1,3-benzoxazole

  • Molecular FormulaC14H9BrClNO
  • Average mass322.584 Da
  • Monoisotopic mass320.955597 Da
  • ChemSpider ID24796635

More details:

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

2-[3-(Brommethyl)phenyl]-5-chlor-1,3-benzoxazol [German] [ACD/IUPAC Name]
2-[3-(Bromomethyl)phenyl]-5-chloro-1,3-benzoxazole [ACD/IUPAC Name]
2-[3-(Bromométhyl)phényl]-5-chloro-1,3-benzoxazole [French] [ACD/IUPAC Name]
Benzoxazole, 2-[3-(bromomethyl)phenyl]-5-chloro- [ACD/Index Name]
2-(3-Bromomethyl-phenyl)-5-chloro-benzooxazole

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

Density: 1.6±0.1 g/cm3
Boiling Point: 407.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.4±3.0 kJ/mol
Flash Point: 200.4±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: 5.31
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3649.01
ACD/KOC (pH 5.5): 12342.40
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3649.02
ACD/KOC (pH 7.4): 12342.40
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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