ChemSpider 2D Image | {4-[2-(2-Chloro-4-fluorophenoxy)propanoyl]-3-thiomorpholinyl}acetic acid | C15H17ClFNO4S

{4-[2-(2-Chloro-4-fluorophenoxy)propanoyl]-3-thiomorpholinyl}acetic acid

  • Molecular FormulaC15H17ClFNO4S
  • Average mass361.816 Da
  • Monoisotopic mass361.055084 Da
  • ChemSpider ID53682137

More details:

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

{4-[2-(2-Chlor-4-fluorphenoxy)propanoyl]-3-thiomorpholinyl}essigsäure [German] [ACD/IUPAC Name]
{4-[2-(2-Chloro-4-fluorophenoxy)propanoyl]-3-thiomorpholinyl}acetic acid [ACD/IUPAC Name]
3-Thiomorpholineacetic acid, 4-[2-(2-chloro-4-fluorophenoxy)-1-oxopropyl]- [ACD/Index Name]
Acide {4-[2-(2-chloro-4-fluorophénoxy)propanoyl]-3-thiomorpholinyl}acétique [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: 588.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 309.5±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 86.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 3.58
ACD/KOC (pH 5.5): 46.29
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 261.9±3.0 cm3

Click to predict properties on the Chemicalize site


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