ChemSpider 2D Image | Methyl 6-bromocoumarin-4-carboxylate | C11H7BrO4

Methyl 6-bromocoumarin-4-carboxylate

  • Molecular FormulaC11H7BrO4
  • Average mass283.075 Da
  • Monoisotopic mass281.952759 Da
  • ChemSpider ID25942517

More details:

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

2H-1-Benzopyran-4-carboxylic acid, 6-bromo-2-oxo-, methyl ester [ACD/Index Name]
6-Bromo-2-oxo-2H-chromène-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 6-bromo-2-oxo-2H-chromene-4-carboxylate [ACD/IUPAC Name]
Methyl 6-bromocoumarin-4-carboxylate
Methyl-6-brom-2-oxo-2H-chromen-4-carboxylat [German] [ACD/IUPAC Name]
484017-05-2 [RN]
Methyl 6-bromo-2-oxo-2H-1-benzopyran-4-carboxylate

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

Density: 1.7±0.1 g/cm3
Boiling Point: 418.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.3±3.0 kJ/mol
Flash Point: 207.1±28.7 °C
Index of Refraction: 1.608
Molar Refractivity: 58.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.19
ACD/KOC (pH 5.5): 699.76
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.19
ACD/KOC (pH 7.4): 699.76
Polar Surface Area: 53 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 168.9±3.0 cm3

Click to predict properties on the Chemicalize site


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