ChemSpider 2D Image | 5-(Bromomethyl)-1,2-oxazol-3(2H)-one | C4H4BrNO2

5-(Bromomethyl)-1,2-oxazol-3(2H)-one

  • Molecular FormulaC4H4BrNO2
  • Average mass177.984 Da
  • Monoisotopic mass176.942535 Da
  • ChemSpider ID32683136

More details:

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

3(2H)-Isoxazolone, 5-(bromomethyl)- [ACD/Index Name]
5-(Brommethyl)-1,2-oxazol-3(2H)-on [German] [ACD/IUPAC Name]
5-(Bromomethyl)-1,2-oxazol-3(2H)-one [ACD/IUPAC Name]
5-(Bromométhyl)-1,2-oxazol-3(2H)-one [French] [ACD/IUPAC Name]
5-(bromomethyl)-2,3-dihydro-1,2-oxazol-3-one
5-(Bromomethyl)isoxazol-3(2H)-one
83014-80-6 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 322.8±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.7±3.0 kJ/mol
Flash Point: 149.0±23.7 °C
Index of Refraction: 1.582
Molar Refractivity: 31.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 3.29
ACD/KOC (pH 5.5): 81.48
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 2.31
ACD/KOC (pH 7.4): 57.34
Polar Surface Area: 46 Å2
Polarizability: 12.4±0.5 10-24cm3
Surface Tension: 59.5±3.0 dyne/cm
Molar Volume: 93.4±3.0 cm3

Click to predict properties on the Chemicalize site


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