ChemSpider 2D Image | Methyl 6-bromo-3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate | C18H13BrO4

Methyl 6-bromo-3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate

  • Molecular FormulaC18H13BrO4
  • Average mass373.197 Da
  • Monoisotopic mass371.999725 Da
  • ChemSpider ID14093722

More details:

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

4H-1-Benzopyran-8-carboxylic acid, 6-bromo-3-methyl-4-oxo-2-phenyl-, methyl ester [ACD/Index Name]
6-Bromo-3-méthyl-4-oxo-2-phényl-4H-chromène-8-carboxylate de méthyle [French] [ACD/IUPAC Name]
91849-09-1 [RN]
Methyl 6-bromo-3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate [ACD/IUPAC Name]
Methyl-6-brom-3-methyl-4-oxo-2-phenyl-4H-chromen-8-carboxylat [German] [ACD/IUPAC Name]
Methyl 6-bromo-3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate
METHYL 6-BROMO-3-METHYL-4-OXO-2-PHENYLCHROMENE-8-CARBOXYLATE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 511.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 263.3±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 88.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1480.09
ACD/KOC (pH 5.5): 6469.79
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1480.09
ACD/KOC (pH 7.4): 6469.79
Polar Surface Area: 53 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 251.3±3.0 cm3

Click to predict properties on the Chemicalize site


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