ChemSpider 2D Image | 6-Chloro-4-[(4-methylphenoxy)methyl]-2H-chromen-2-one | C17H13ClO3

6-Chloro-4-[(4-methylphenoxy)methyl]-2H-chromen-2-one

  • Molecular FormulaC17H13ClO3
  • Average mass300.736 Da
  • Monoisotopic mass300.055328 Da
  • ChemSpider ID30656804

More details:

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

2H-1-Benzopyran-2-one, 6-chloro-4-[(4-methylphenoxy)methyl]- [ACD/Index Name]
6-Chlor-4-[(4-methylphenoxy)methyl]-2H-chromen-2-on [German] [ACD/IUPAC Name]
6-Chloro-4-[(4-methylphenoxy)methyl]-2H-chromen-2-one [ACD/IUPAC Name]
6-Chloro-4-[(4-méthylphénoxy)méthyl]-2H-chromén-2-one [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 484.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 197.2±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: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1215.90
ACD/KOC (pH 5.5): 5620.42
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1215.90
ACD/KOC (pH 7.4): 5620.42
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

Click to predict properties on the Chemicalize site


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