ChemSpider 2D Image | 4-[(3-Chloro-4-fluorophenyl)amino]-6-ethyl-3-quinolinecarbonitrile | C18H13ClFN3

4-[(3-Chloro-4-fluorophenyl)amino]-6-ethyl-3-quinolinecarbonitrile

  • Molecular FormulaC18H13ClFN3
  • Average mass325.767 Da
  • Monoisotopic mass325.078217 Da
  • ChemSpider ID22278002

More details:






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

3-Quinolinecarbonitrile, 4-[(3-chloro-4-fluorophenyl)amino]-6-ethyl- [ACD/Index Name]
4-[(3-Chlor-4-fluorphenyl)amino]-6-ethyl-3-chinolincarbonitril [German] [ACD/IUPAC Name]
4-[(3-Chloro-4-fluorophényl)amino]-6-éthyl-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
4-[(3-Chloro-4-fluorophenyl)amino]-6-ethyl-3-quinolinecarbonitrile [ACD/IUPAC Name]
4-[(3-CHLORO-4-FLUOROPHENYL)AMINO]-6-ETHYLQUINOLINE-3-CARBONITRILE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 465.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 235.6±28.7 °C
Index of Refraction: 1.659
Molar Refractivity: 89.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4755.46
ACD/KOC (pH 5.5): 14843.63
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 4839.36
ACD/KOC (pH 7.4): 15105.52
Polar Surface Area: 49 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 242.0±5.0 cm3

Click to predict properties on the Chemicalize site






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