ChemSpider 2D Image | (2E)-3-(4-Chlorophenyl)-1-[4-(methylsulfonyl)-1-piperazinyl]-2-propen-1-one | C14H17ClN2O3S

(2E)-3-(4-Chlorophenyl)-1-[4-(methylsulfonyl)-1-piperazinyl]-2-propen-1-one

  • Molecular FormulaC14H17ClN2O3S
  • Average mass328.814 Da
  • Monoisotopic mass328.064850 Da
  • ChemSpider ID60442198

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-Chlorophenyl)-1-[4-(methylsulfonyl)-1-piperazinyl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-(4-Chlorophényl)-1-[4-(méthylsulfonyl)-1-pipérazinyl]-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-3-(4-Chlorphenyl)-1-[4-(methylsulfonyl)-1-piperazinyl]-2-propen-1-on [German] [ACD/IUPAC Name]
2-Propen-1-one, 3-(4-chlorophenyl)-1-[4-(methylsulfonyl)-1-piperazinyl]-, (2E)- [ACD/Index 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: 549.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 286.0±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 83.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.28
ACD/KOC (pH 5.5): 157.98
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.28
ACD/KOC (pH 7.4): 157.98
Polar Surface Area: 66 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 236.5±5.0 cm3

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