ChemSpider 2D Image | 3-(4-Chlorophenyl)-1H-isochromen-1-one | C15H9ClO2

3-(4-Chlorophenyl)-1H-isochromen-1-one

  • Molecular FormulaC15H9ClO2
  • Average mass256.684 Da
  • Monoisotopic mass256.029114 Da
  • ChemSpider ID21124957

More details:

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

1H-2-Benzopyran-1-one, 3-(4-chlorophenyl)- [ACD/Index Name]
3-(4-Chlorophenyl)-1H-isochromen-1-one [ACD/IUPAC Name]
3-(4-Chlorophényl)-1H-isochromén-1-one [French] [ACD/IUPAC Name]
3-(4-Chlorphenyl)-1H-isochromen-1-on [German] [ACD/IUPAC Name]
62827-72-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 404.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 217.1±24.2 °C
Index of Refraction: 1.642
Molar Refractivity: 69.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2703.51
ACD/KOC (pH 5.5): 9957.94
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2703.51
ACD/KOC (pH 7.4): 9957.94
Polar Surface Area: 26 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 191.2±3.0 cm3

Click to predict properties on the Chemicalize site


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