ChemSpider 2D Image | 8-Chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-2,3-dihydro-4H-chromen-4-one | C16H13ClO5

8-Chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC16H13ClO5
  • Average mass320.724 Da
  • Monoisotopic mass320.045166 Da
  • ChemSpider ID24846395

More details:

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

4H-1-Benzopyran-4-one, 8-chloro-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl- [ACD/Index Name]
8-Chlor-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
8-Chloro-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
8-Chloro-5,7-dihydroxy-2-(4-hydroxyphényl)-3-méthyl-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
8-Chloro-5,7,4'-trihydroxy-3-C-methylflavanone

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

Density: 1.5±0.1 g/cm3
Boiling Point: 579.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 304.5±30.1 °C
Index of Refraction: 1.664
Molar Refractivity: 79.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1144.17
ACD/KOC (pH 5.5): 4993.04
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 50.82
ACD/KOC (pH 7.4): 221.77
Polar Surface Area: 87 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 215.2±3.0 cm3

Click to predict properties on the Chemicalize site


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