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Search term: XXMITAGGDYBPQV (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 7-(4-Chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one | C16H11ClO4

7-(4-Chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one

  • Molecular FormulaC16H11ClO4
  • Average mass302.709 Da
  • Monoisotopic mass302.034576 Da
  • ChemSpider ID30832645

More details:






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

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 445.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 222.9±28.7 °C
Index of Refraction: 1.638
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: 4.39
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 605.95
ACD/KOC (pH 5.5): 3411.01
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 487.02
ACD/KOC (pH 7.4): 2741.53
Polar Surface Area: 56 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 216.0±3.0 cm3

Click to predict properties on the Chemicalize site






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