ChemSpider 2D Image | Ethyl 4-(2-chloro-3-quinolinyl)-1-phenyl-1H-pyrrole-3-carboxylate | C22H17ClN2O2

Ethyl 4-(2-chloro-3-quinolinyl)-1-phenyl-1H-pyrrole-3-carboxylate

  • Molecular FormulaC22H17ClN2O2
  • Average mass376.836 Da
  • Monoisotopic mass376.097870 Da
  • ChemSpider ID24740922

More details:

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

1H-Pyrrole-3-carboxylic acid, 4-(2-chloro-3-quinolinyl)-1-phenyl-, ethyl ester [ACD/Index Name]
4-(2-Chloro-3-quinoléinyl)-1-phényl-1H-pyrrole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(2-chloro-3-quinolinyl)-1-phenyl-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Ethyl-4-(2-chlor-3-chinolinyl)-1-phenyl-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC 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: 541.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 281.0±30.1 °C
Index of Refraction: 1.634
Molar Refractivity: 107.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6763.46
ACD/KOC (pH 5.5): 19196.65
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6763.46
ACD/KOC (pH 7.4): 19196.68
Polar Surface Area: 44 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 300.3±7.0 cm3

Click to predict properties on the Chemicalize site


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