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

6-Chloro-4-[(4-fluorobenzyl)amino]-3-quinolinecarbonitrile

  • Molecular FormulaC17H11ClFN3
  • Average mass311.741 Da
  • Monoisotopic mass311.062561 Da
  • ChemSpider ID29003198

More details:

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

3-Quinolinecarbonitrile, 6-chloro-4-[[(4-fluorophenyl)methyl]amino]- [ACD/Index Name]
6-Chlor-4-[(4-fluorbenzyl)amino]-3-chinolincarbonitril [German] [ACD/IUPAC Name]
6-Chloro-4-[(4-fluorobenzyl)amino]-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
6-Chloro-4-[(4-fluorobenzyl)amino]-3-quinolinecarbonitrile [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: 506.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 260.0±30.1 °C
Index of Refraction: 1.671
Molar Refractivity: 84.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1317.79
ACD/KOC (pH 5.5): 5923.42
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1341.33
ACD/KOC (pH 7.4): 6029.21
Polar Surface Area: 49 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 63.4±5.0 dyne/cm
Molar Volume: 226.2±5.0 cm3

Click to predict properties on the Chemicalize site


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