ChemSpider 2D Image | 7-(2-Bromopropanoyl)-6-chloro-2H-1,4-benzoxazin-3(4H)-one | C11H9BrClNO3

7-(2-Bromopropanoyl)-6-chloro-2H-1,4-benzoxazin-3(4H)-one

  • Molecular FormulaC11H9BrClNO3
  • Average mass318.551 Da
  • Monoisotopic mass316.945435 Da
  • ChemSpider ID33242721

More details:

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

2H-1,4-Benzoxazin-3(4H)-one, 7-(2-bromo-1-oxopropyl)-6-chloro- [ACD/Index Name]
7-(2-Bromopropanoyl)-6-chloro-2H-1,4-benzoxazin-3(4H)-one [ACD/IUPAC Name]
7-(2-Bromopropanoyl)-6-chloro-2H-1,4-benzoxazin-3(4H)-one [French] [ACD/IUPAC Name]
7-(2-Brompropanoyl)-6-chlor-2H-1,4-benzoxazin-3(4H)-on [German] [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: 461.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 233.0±28.7 °C
Index of Refraction: 1.600
Molar Refractivity: 66.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.01
ACD/KOC (pH 5.5): 443.61
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 35.01
ACD/KOC (pH 7.4): 443.51
Polar Surface Area: 55 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 193.4±3.0 cm3

Click to predict properties on the Chemicalize site


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