ChemSpider 2D Image | (2E)-3-(4-Chlorophenyl)-2-[(4-chlorophenyl)sulfonyl]-1-(4-methoxyphenyl)-2-propen-1-one | C22H16Cl2O4S

(2E)-3-(4-Chlorophenyl)-2-[(4-chlorophenyl)sulfonyl]-1-(4-methoxyphenyl)-2-propen-1-one

  • Molecular FormulaC22H16Cl2O4S
  • Average mass447.331 Da
  • Monoisotopic mass446.014648 Da
  • ChemSpider ID26351445

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-Chlorophenyl)-2-[(4-chlorophenyl)sulfonyl]-1-(4-methoxyphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-(4-Chlorophényl)-2-[(4-chlorophényl)sulfonyl]-1-(4-méthoxyphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-3-(4-Chlorphenyl)-2-[(4-chlorphenyl)sulfonyl]-1-(4-methoxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
2-Propen-1-one, 3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonyl]-1-(4-methoxyphenyl)-, (2E)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1241690/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 646.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 345.0±31.5 °C
Index of Refraction: 1.627
Molar Refractivity: 114.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 5.44
ACD/BCF (pH 5.5): 8007.27
ACD/KOC (pH 5.5): 21662.31
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 8007.27
ACD/KOC (pH 7.4): 21662.31
Polar Surface Area: 69 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 323.7±3.0 cm3

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