ChemSpider 2D Image | 6-Bromo-3-(1,2-oxazol-5-yl)-2H-chromen-2-one | C12H6BrNO3

6-Bromo-3-(1,2-oxazol-5-yl)-2H-chromen-2-one

  • Molecular FormulaC12H6BrNO3
  • Average mass292.085 Da
  • Monoisotopic mass290.953094 Da
  • ChemSpider ID127424061

More details:

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

2H-1-Benzopyran-2-one, 6-bromo-3-(5-isoxazolyl)- [ACD/Index Name]
6-Brom-3-(1,2-oxazol-5-yl)-2H-chromen-2-on [German] [ACD/IUPAC Name]
6-Bromo-3-(1,2-oxazol-5-yl)-2H-chromen-2-one [ACD/IUPAC Name]
6-Bromo-3-(1,2-oxazol-5-yl)-2H-chromén-2-one [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4470417/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 486.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 248.0±28.7 °C
Index of Refraction: 1.647
Molar Refractivity: 62.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 141.81
ACD/KOC (pH 5.5): 1207.23
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 141.81
ACD/KOC (pH 7.4): 1207.23
Polar Surface Area: 52 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 171.5±3.0 cm3

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