ChemSpider 2D Image | (2E)-3-[4-(Benzyloxy)phenyl]-1-(2,6-dichloro-3-fluorophenyl)-2-propen-1-one | C22H15Cl2FO2

(2E)-3-[4-(Benzyloxy)phenyl]-1-(2,6-dichloro-3-fluorophenyl)-2-propen-1-one

  • Molecular FormulaC22H15Cl2FO2
  • Average mass401.258 Da
  • Monoisotopic mass400.043304 Da
  • ChemSpider ID30658246

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[4-(Benzyloxy)phenyl]-1-(2,6-dichlor-3-fluorphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-[4-(Benzyloxy)phenyl]-1-(2,6-dichloro-3-fluorophenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-[4-(Benzyloxy)phényl]-1-(2,6-dichloro-3-fluorophényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-(2,6-dichloro-3-fluorophenyl)-3-[4-(phenylmethoxy)phenyl]-, (2E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 560.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 214.8±19.3 °C
Index of Refraction: 1.633
Molar Refractivity: 108.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 6.05
ACD/BCF (pH 5.5): 23277.01
ACD/KOC (pH 5.5): 46497.74
ACD/LogD (pH 7.4): 6.05
ACD/BCF (pH 7.4): 23277.01
ACD/KOC (pH 7.4): 46497.74
Polar Surface Area: 26 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 302.6±3.0 cm3

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