ChemSpider 2D Image | 4-[(3-Chloro-4-fluorophenyl)amino]-6-methyl-3-quinolinecarbonitrile | C17H11ClFN3

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

  • Molecular FormulaC17H11ClFN3
  • Average mass311.741 Da
  • Monoisotopic mass311.062561 Da
  • ChemSpider ID31088736

More details:

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

3-Quinolinecarbonitrile, 4-[(3-chloro-4-fluorophenyl)amino]-6-methyl- [ACD/Index Name]
4-[(3-Chlor-4-fluorphenyl)amino]-6-methyl-3-chinolincarbonitril [German] [ACD/IUPAC Name]
4-[(3-Chloro-4-fluorophényl)amino]-6-méthyl-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
4-[(3-Chloro-4-fluorophenyl)amino]-6-methyl-3-quinolinecarbonitrile [ACD/IUPAC Name]
4-(3-Chloro-4-fluoro-phenylamino)-6-methyl-quinoline-3-carbonitrile

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

Density: 1.4±0.1 g/cm3
Boiling Point: 456.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 230.1±28.7 °C
Index of Refraction: 1.673
Molar Refractivity: 84.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2887.15
ACD/KOC (pH 5.5): 10381.89
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2941.30
ACD/KOC (pH 7.4): 10576.61
Polar Surface Area: 49 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 225.8±5.0 cm3

Click to predict properties on the Chemicalize site


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