ChemSpider 2D Image | (2E)-4-[4-(2-Chlorophenyl)-1-piperazinyl]-4-oxo-2-butenoic acid | C14H15ClN2O3

(2E)-4-[4-(2-Chlorophenyl)-1-piperazinyl]-4-oxo-2-butenoic acid

  • Molecular FormulaC14H15ClN2O3
  • Average mass294.733 Da
  • Monoisotopic mass294.077118 Da
  • ChemSpider ID23371805

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-[4-(2-Chlorophenyl)-1-piperazinyl]-4-oxo-2-butenoic acid [ACD/IUPAC Name]
(2E)-4-[4-(2-Chlorophenyl)piperazin-1-yl]-4-oxobut-2-enoic acid
(2E)-4-[4-(2-Chlorphenyl)-1-piperazinyl]-4-oxo-2-butensäure [German] [ACD/IUPAC Name]
2-Butenoic acid, 4-[4-(2-chlorophenyl)-1-piperazinyl]-4-oxo-, (2E)- [ACD/Index Name]
Acide (2E)-4-[4-(2-chlorophényl)-1-pipérazinyl]-4-oxo-2-buténoïque [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: 535.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 277.9±30.1 °C
Index of Refraction: 1.607
Molar Refractivity: 75.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.47
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.53
ACD/LogD (pH 7.4): -1.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 61 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 217.2±3.0 cm3

Click to predict properties on the Chemicalize site


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