ChemSpider 2D Image | 3-(Bromomethyl)-5-(2-methyl-2-propanyl)-1,2-oxazole | C8H12BrNO

3-(Bromomethyl)-5-(2-methyl-2-propanyl)-1,2-oxazole

  • Molecular FormulaC8H12BrNO
  • Average mass218.091 Da
  • Monoisotopic mass217.010223 Da
  • ChemSpider ID34215580

More details:

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

3-(Brommethyl)-5-(2-methyl-2-propanyl)-1,2-oxazol [German] [ACD/IUPAC Name]
3-(Bromomethyl)-5-(2-methyl-2-propanyl)-1,2-oxazole [ACD/IUPAC Name]
3-(Bromométhyl)-5-(2-méthyl-2-propanyl)-1,2-oxazole [French] [ACD/IUPAC Name]
Isoxazole, 3-(bromomethyl)-5-(1,1-dimethylethyl)- [ACD/Index Name]
1521077-29-1 [RN]
3-(Bromomethyl)-5-(tert-butyl)isoxazole
3-(bromomethyl)-5-tert-butyl-1,2-oxazole
MFCD23905289

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

Density: 1.3±0.1 g/cm3
Boiling Point: 247.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.5±3.0 kJ/mol
Flash Point: 103.5±23.2 °C
Index of Refraction: 1.502
Molar Refractivity: 47.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 70.71
ACD/KOC (pH 5.5): 733.63
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 70.71
ACD/KOC (pH 7.4): 733.63
Polar Surface Area: 26 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 161.6±3.0 cm3

Click to predict properties on the Chemicalize site


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