ChemSpider 2D Image | Methyl 3,5-dibromo-2-(2-oxo-2H-chromen-3-yl)benzoate | C17H10Br2O4

Methyl 3,5-dibromo-2-(2-oxo-2H-chromen-3-yl)benzoate

  • Molecular FormulaC17H10Br2O4
  • Average mass438.067 Da
  • Monoisotopic mass435.894562 Da
  • ChemSpider ID44267896

More details:






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

3,5-Dibromo-2-(2-oxo-2H-chromén-3-yl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-dibromo-2-(2-oxo-2H-1-benzopyran-3-yl)-, methyl ester [ACD/Index Name]
Methyl 3,5-dibromo-2-(2-oxo-2H-chromen-3-yl)benzoate [ACD/IUPAC Name]
Methyl-3,5-dibrom-2-(2-oxo-2H-chromen-3-yl)benzoat [German] [ACD/IUPAC Name]
3,5-Dibromo-2-(2-oxo-2H-chromen-3-yl)-benzoic acid methyl ester
MFCD29478184

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

Density: 1.8±0.1 g/cm3
Boiling Point: 544.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 283.3±30.1 °C
Index of Refraction: 1.653
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 7185.48
ACD/KOC (pH 5.5): 20046.68
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 7185.48
ACD/KOC (pH 7.4): 20046.68
Polar Surface Area: 53 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 249.5±3.0 cm3

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