ChemSpider 2D Image | 3,8-Dibromo-4-methyl-2-oxo-2H-chromen-7-yl acetate | C12H8Br2O4

3,8-Dibromo-4-methyl-2-oxo-2H-chromen-7-yl acetate

  • Molecular FormulaC12H8Br2O4
  • Average mass375.997 Da
  • Monoisotopic mass373.878906 Da
  • ChemSpider ID23324602

More details:

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

2H-1-Benzopyran-2-one, 7-(acetyloxy)-3,8-dibromo-4-methyl- [ACD/Index Name]
3,8-Dibrom-4-methyl-2-oxo-2H-chromen-7-yl-acetat [German] [ACD/IUPAC Name]
3,8-Dibromo-4-methyl-2-oxo-2H-chromen-7-yl acetate [ACD/IUPAC Name]
Acétate de 3,8-dibromo-4-méthyl-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
1213269-83-0 [RN]
7-acetoxy-3,8-dibromo-4-methylcoumarin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL272045/

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

Density: 1.9±0.1 g/cm3
Boiling Point: 463.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 234.3±28.7 °C
Index of Refraction: 1.626
Molar Refractivity: 71.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 299.39
ACD/KOC (pH 5.5): 2061.08
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 299.39
ACD/KOC (pH 7.4): 2061.08
Polar Surface Area: 53 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 201.2±3.0 cm3

Click to predict properties on the Chemicalize site


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