ChemSpider 2D Image | 6-Chloro-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one | C16H11ClO4

6-Chloro-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one

  • Molecular FormulaC16H11ClO4
  • Average mass302.709 Da
  • Monoisotopic mass302.034576 Da
  • ChemSpider ID22511820

More details:

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

4H-1-Benzopyran-4-one, 6-chloro-2-(4-hydroxy-3-methoxyphenyl)- [ACD/Index Name]
6-Chlor-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
6-Chloro-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one [ACD/IUPAC Name]
6-Chloro-2-(4-hydroxy-3-méthoxyphényl)-4H-chromén-4-one [French] [ACD/IUPAC Name]
63046-16-2 [RN]
6-chloro-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 492.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 251.6±28.7 °C
Index of Refraction: 1.647
Molar Refractivity: 77.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 147.18
ACD/KOC (pH 5.5): 1239.79
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 147.01
ACD/KOC (pH 7.4): 1238.37
Polar Surface Area: 56 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 213.7±3.0 cm3

Click to predict properties on the Chemicalize site


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