ChemSpider 2D Image | 4-[(4-Bromophenoxy)methyl]-7-methyl-2H-chromen-2-one | C17H13BrO3

4-[(4-Bromophenoxy)methyl]-7-methyl-2H-chromen-2-one

  • Molecular FormulaC17H13BrO3
  • Average mass345.187 Da
  • Monoisotopic mass344.004791 Da
  • ChemSpider ID24714601

More details:






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

2H-1-Benzopyran-2-one, 4-[(4-bromophenoxy)methyl]-7-methyl- [ACD/Index Name]
4-[(4-Bromophenoxy)methyl]-7-methyl-2H-chromen-2-one [ACD/IUPAC Name]
4-[(4-Bromophénoxy)méthyl]-7-méthyl-2H-chromén-2-one [French] [ACD/IUPAC Name]
4-[(4-Bromphenoxy)methyl]-7-methyl-2H-chromen-2-on [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL510790/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 496.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 254.2±28.7 °C
Index of Refraction: 1.620
Molar Refractivity: 83.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2690.86
ACD/KOC (pH 5.5): 9924.58
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2690.86
ACD/KOC (pH 7.4): 9924.58
Polar Surface Area: 36 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 237.0±3.0 cm3

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