ChemSpider 2D Image | 3-(4-Chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one | C15H9ClO5

3-(4-Chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one

  • Molecular FormulaC15H9ClO5
  • Average mass304.682 Da
  • Monoisotopic mass304.013855 Da
  • ChemSpider ID30832649

More details:






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

2H-1-Benzopyran-2-one, 3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy- [ACD/Index Name]
3-(4-Chlor-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-on [German] [ACD/IUPAC Name]
3-(4-Chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one [ACD/IUPAC Name]
3-(4-Chloro-2-hydroxyphénoxy)-7-hydroxy-2H-chromén-2-one [French] [ACD/IUPAC Name]
10.1021/jm400637m
CHV

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 542.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 282.2±30.1 °C
Index of Refraction: 1.700
Molar Refractivity: 74.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 487.09
ACD/KOC (pH 5.5): 2909.65
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 228.64
ACD/KOC (pH 7.4): 1365.81
Polar Surface Area: 76 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 72.2±3.0 dyne/cm
Molar Volume: 193.4±3.0 cm3

Click to predict properties on the Chemicalize site






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