ChemSpider 2D Image | 3,6-Dibromo-7-hydroxy-4-methyl-2H-chromen-2-one | C10H6Br2O3

3,6-Dibromo-7-hydroxy-4-methyl-2H-chromen-2-one

  • Molecular FormulaC10H6Br2O3
  • Average mass333.961 Da
  • Monoisotopic mass331.868347 Da
  • ChemSpider ID23324646

More details:

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

2H-1-Benzopyran-2-one, 3,6-dibromo-7-hydroxy-4-methyl- [ACD/Index Name]
3,6-Dibrom-7-hydroxy-4-methyl-2H-chromen-2-on [German] [ACD/IUPAC Name]
3,6-Dibromo-7-hydroxy-4-methyl-2H-chromen-2-one [ACD/IUPAC Name]
3,6-Dibromo-7-hydroxy-4-méthyl-2H-chromén-2-one [French] [ACD/IUPAC Name]
3,6-dibromo-7-hydroxy-4-methylcoumarin
90943-50-3 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL404951/
MFCD00510059

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

Density: 2.1±0.1 g/cm3
Boiling Point: 430.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 214.3±28.7 °C
Index of Refraction: 1.688
Molar Refractivity: 61.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 250.09
ACD/KOC (pH 5.5): 1641.05
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 10.61
ACD/KOC (pH 7.4): 69.66
Polar Surface Area: 47 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 162.0±3.0 cm3

Click to predict properties on the Chemicalize site


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