ChemSpider 2D Image | 3-(2-Chloro-6-fluorophenyl)-1H-isochromen-1-one | C15H8ClFO2

3-(2-Chloro-6-fluorophenyl)-1H-isochromen-1-one

  • Molecular FormulaC15H8ClFO2
  • Average mass274.674 Da
  • Monoisotopic mass274.019684 Da
  • ChemSpider ID21126074

More details:

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

1H-2-Benzopyran-1-one, 3-(2-chloro-6-fluorophenyl)- [ACD/Index Name]
3-(2-Chlor-6-fluorphenyl)-1H-isochromen-1-on [German] [ACD/IUPAC Name]
3-(2-Chloro-6-fluorophenyl)-1H-isochromen-1-one [ACD/IUPAC Name]
3-(2-Chloro-6-fluorophényl)-1H-isochromén-1-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 408.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.0±3.0 kJ/mol
Flash Point: 175.1±17.9 °C
Index of Refraction: 1.625
Molar Refractivity: 69.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1830.10
ACD/KOC (pH 5.5): 7531.43
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1830.10
ACD/KOC (pH 7.4): 7531.43
Polar Surface Area: 26 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 195.4±3.0 cm3

Click to predict properties on the Chemicalize site


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