ChemSpider 2D Image | 2-{[2-Chloro-5-(trifluoromethyl)phenyl]amino}-2-oxoethyl 4-isoquinolinecarboxylate | C19H12ClF3N2O3

2-{[2-Chloro-5-(trifluoromethyl)phenyl]amino}-2-oxoethyl 4-isoquinolinecarboxylate

  • Molecular FormulaC19H12ClF3N2O3
  • Average mass408.758 Da
  • Monoisotopic mass408.048859 Da
  • ChemSpider ID30430970

More details:

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

2-{[2-Chlor-5-(trifluormethyl)phenyl]amino}-2-oxoethyl-4-isochinolincarboxylat [German] [ACD/IUPAC Name]
2-{[2-Chloro-5-(trifluoromethyl)phenyl]amino}-2-oxoethyl 4-isoquinolinecarboxylate [ACD/IUPAC Name]
4-Isoquinoléinecarboxylate de 2-{[2-chloro-5-(trifluorométhyl)phényl]amino}-2-oxoéthyle [French] [ACD/IUPAC Name]
4-Isoquinolinecarboxylic acid, 2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 582.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.9±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 97.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 777.21
ACD/KOC (pH 5.5): 4076.77
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 779.05
ACD/KOC (pH 7.4): 4086.44
Polar Surface Area: 68 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 277.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement