ChemSpider 2D Image | 3-(Bromomethyl)(~2~H_4_)-1,2-benzoxazole | C8H2D4BrNO

3-(Bromomethyl)(2H4)-1,2-benzoxazole

  • Molecular FormulaC8H2D4BrNO
  • Average mass216.068 Da
  • Monoisotopic mass214.988373 Da
  • ChemSpider ID128918088

  • Non-standard isotope - Non-standard isotope

More details:

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

1,2-Benzisoxazole-4,5,6,7-d4, 3-(bromomethyl)- [ACD/Index Name]
3-(Brommethyl)(2H4)-1,2-benzoxazol [German] [ACD/IUPAC Name]
3-(Bromomethyl)(2H4)-1,2-benzoxazole [ACD/IUPAC Name]
3-(Bromométhyl)(2H4)-1,2-benzoxazole [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 302.5±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.1±3.0 kJ/mol
Flash Point: 136.8±20.9 °C
Index of Refraction: 1.651
Molar Refractivity: 47.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.52
ACD/KOC (pH 5.5): 551.96
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.52
ACD/KOC (pH 7.4): 551.96
Polar Surface Area: 26 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 129.1±3.0 cm3

Click to predict properties on the Chemicalize site


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