ChemSpider 2D Image | 4-{[2-(2-Chloro-4-fluorophenoxy)propanoyl]amino}tetrahydro-2H-thiopyran-4-carboxylic acid | C15H17ClFNO4S

4-{[2-(2-Chloro-4-fluorophenoxy)propanoyl]amino}tetrahydro-2H-thiopyran-4-carboxylic acid

  • Molecular FormulaC15H17ClFNO4S
  • Average mass361.816 Da
  • Monoisotopic mass361.055084 Da
  • ChemSpider ID54350463

More details:

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

2H-Thiopyran-4-carboxylic acid, 4-[[2-(2-chloro-4-fluorophenoxy)-1-oxopropyl]amino]tetrahydro- [ACD/Index Name]
4-{[2-(2-Chlor-4-fluorphenoxy)propanoyl]amino}tetrahydro-2H-thiopyran-4-carbonsäure [German] [ACD/IUPAC Name]
4-{[2-(2-Chloro-4-fluorophenoxy)propanoyl]amino}tetrahydro-2H-thiopyran-4-carboxylic acid [ACD/IUPAC Name]
Acide 4-{[2-(2-chloro-4-fluorophénoxy)propanoyl]amino}tétrahydro-2H-thiopyrane-4-carboxylique [French] [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: 611.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 323.8±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 86.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.39
ACD/LogD (pH 7.4): -1.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 254.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement