ChemSpider 2D Image | 1-(4-Chloro-3-fluorophenyl)-2-[(3-phenyl-1-isoquinolinyl)sulfanyl]ethanone | C23H15ClFNOS

1-(4-Chloro-3-fluorophenyl)-2-[(3-phenyl-1-isoquinolinyl)sulfanyl]ethanone

  • Molecular FormulaC23H15ClFNOS
  • Average mass407.888 Da
  • Monoisotopic mass407.054688 Da
  • ChemSpider ID24741593

More details:

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

1-(4-Chlor-3-fluorphenyl)-2-[(3-phenyl-1-isochinolinyl)sulfanyl]ethanon [German] [ACD/IUPAC Name]
1-(4-Chloro-3-fluorophényl)-2-[(3-phényl-1-isoquinoléinyl)sulfanyl]éthanone [French] [ACD/IUPAC Name]
1-(4-Chloro-3-fluorophenyl)-2-[(3-phenyl-1-isoquinolinyl)sulfanyl]ethanone [ACD/IUPAC Name]
Ethanone, 1-(4-chloro-3-fluorophenyl)-2-[(3-phenyl-1-isoquinolinyl)thio]- [ACD/Index 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: 598.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.5±30.1 °C
Index of Refraction: 1.700
Molar Refractivity: 113.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 6.11
ACD/BCF (pH 5.5): 25979.99
ACD/KOC (pH 5.5): 50294.49
ACD/LogD (pH 7.4): 6.11
ACD/BCF (pH 7.4): 25993.17
ACD/KOC (pH 7.4): 50320.01
Polar Surface Area: 55 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 294.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement