ChemSpider 2D Image | 3-(2-chloro-4-fluoro-phenyl)isochromen-1-one | C15H8ClFO2

3-(2-chloro-4-fluoro-phenyl)isochromen-1-one

  • Molecular FormulaC15H8ClFO2
  • Average mass274.674 Da
  • Monoisotopic mass274.019684 Da
  • ChemSpider ID21127098

More details:

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

3-(2-Chlor-4-fluorphenyl)-1H-isochromen-1-on [German] [ACD/IUPAC Name]
3-(2-Chloro-4-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: 401.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 171.1±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: 4.26
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1788.13
ACD/KOC (pH 5.5): 7407.38
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1788.13
ACD/KOC (pH 7.4): 7407.38
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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