ChemSpider 2D Image | 2-[4-(4-Chlorophenoxy)phenyl]-4H-chromen-4-one | C21H13ClO3

2-[4-(4-Chlorophenoxy)phenyl]-4H-chromen-4-one

  • Molecular FormulaC21H13ClO3
  • Average mass348.779 Da
  • Monoisotopic mass348.055328 Da
  • ChemSpider ID30837609

More details:






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

2-[4-(4-Chlorophenoxy)phenyl]-4H-chromen-4-one [ACD/IUPAC Name]
2-[4-(4-Chlorophénoxy)phényl]-4H-chromén-4-one [French] [ACD/IUPAC Name]
2-[4-(4-Chlorphenoxy)phenyl]-4H-chromen-4-on [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[4-(4-chlorophenoxy)phenyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 488.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 185.6±27.7 °C
Index of Refraction: 1.650
Molar Refractivity: 95.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2433.36
ACD/KOC (pH 5.5): 9235.11
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2433.36
ACD/KOC (pH 7.4): 9235.11
Polar Surface Area: 36 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 261.8±3.0 cm3

Click to predict properties on the Chemicalize site






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