ChemSpider 2D Image | 4-[(4-Chlorophenoxy)methyl]-7-methyl-2H-chromen-2-one | C17H13ClO3

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

  • Molecular FormulaC17H13ClO3
  • Average mass300.736 Da
  • Monoisotopic mass300.055328 Da
  • ChemSpider ID24713541

More details:

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

2H-1-Benzopyran-2-one, 4-[(4-chlorophenoxy)methyl]-7-methyl- [ACD/Index Name]
4-[(4-Chlorophenoxy)methyl]-7-methyl-2H-chromen-2-one [ACD/IUPAC Name]
4-[(4-Chlorophénoxy)méthyl]-7-méthyl-2H-chromén-2-one [French] [ACD/IUPAC Name]
4-[(4-Chlorphenoxy)methyl]-7-methyl-2H-chromen-2-on [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL508936/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 479.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 194.9±27.7 °C
Index of Refraction: 1.607
Molar Refractivity: 80.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1136.58
ACD/KOC (pH 5.5): 5355.48
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1136.58
ACD/KOC (pH 7.4): 5355.48
Polar Surface Area: 36 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 232.8±3.0 cm3

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