ChemSpider 2D Image | 4-Methyl-2-oxo-2H-chromen-7-yl 3,5-dibromobenzoate | C17H10Br2O4

4-Methyl-2-oxo-2H-chromen-7-yl 3,5-dibromobenzoate

  • Molecular FormulaC17H10Br2O4
  • Average mass438.067 Da
  • Monoisotopic mass435.894562 Da
  • ChemSpider ID70326235

More details:






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

3,5-Dibromobenzoate de 4-méthyl-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
4-Methyl-2-oxo-2H-chromen-7-yl 3,5-dibromobenzoate [ACD/IUPAC Name]
4-Methyl-2-oxo-2H-chromen-7-yl-3,5-dibrombenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 3,5-dibromo-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 555.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 289.5±30.1 °C
Index of Refraction: 1.650
Molar Refractivity: 91.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 5.54
ACD/BCF (pH 5.5): 9571.30
ACD/KOC (pH 5.5): 24613.23
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 9571.30
ACD/KOC (pH 7.4): 24613.23
Polar Surface Area: 53 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 250.9±3.0 cm3

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