ChemSpider 2D Image | 5-[5-Fluoro-2-(methylsulfanyl)phenyl]-2-hydroxy-4-pentynoic acid | C12H11FO3S

5-[5-Fluoro-2-(methylsulfanyl)phenyl]-2-hydroxy-4-pentynoic acid

  • Molecular FormulaC12H11FO3S
  • Average mass254.277 Da
  • Monoisotopic mass254.041290 Da
  • ChemSpider ID84721352

More details:

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

4-Pentynoic acid, 5-[5-fluoro-2-(methylthio)phenyl]-2-hydroxy- [ACD/Index Name]
5-[5-Fluor-2-(methylsulfanyl)phenyl]-2-hydroxy-4-pentinsäure [German] [ACD/IUPAC Name]
5-[5-Fluoro-2-(methylsulfanyl)phenyl]-2-hydroxy-4-pentynoic acid [ACD/IUPAC Name]
Acide 5-[5-fluoro-2-(méthylsulfanyl)phényl]-2-hydroxy-4-pentynoïque [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: 447.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 224.6±28.7 °C
Index of Refraction: 1.615
Molar Refractivity: 63.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.14
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 63.4±5.0 dyne/cm
Molar Volume: 183.0±5.0 cm3

Click to predict properties on the Chemicalize site


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