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Search term: MF = 'C_{15}H_{17}FO_{3}S'
ChemSpider 2D Image | Ethyl {[3-fluoro-5-(4-hydroxy-1-butyn-1-yl)benzyl]sulfanyl}acetate | C15H17FO3S

Ethyl {[3-fluoro-5-(4-hydroxy-1-butyn-1-yl)benzyl]sulfanyl}acetate

  • Molecular FormulaC15H17FO3S
  • Average mass296.357 Da
  • Monoisotopic mass296.088257 Da
  • ChemSpider ID36057666

More details:

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

{[3-Fluoro-5-(4-hydroxy-1-butyn-1-yl)benzyl]sulfanyl}acétate d'éthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[[3-fluoro-5-(4-hydroxy-1-butyn-1-yl)phenyl]methyl]thio]-, ethyl ester [ACD/Index Name]
Ethyl {[3-fluoro-5-(4-hydroxy-1-butyn-1-yl)benzyl]sulfanyl}acetate [ACD/IUPAC Name]
Ethyl-{[3-fluor-5-(4-hydroxy-1-butin-1-yl)benzyl]sulfanyl}acetat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 430.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 214.3±28.7 °C
Index of Refraction: 1.563
Molar Refractivity: 78.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 172.60
ACD/KOC (pH 5.5): 1389.58
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 172.60
ACD/KOC (pH 7.4): 1389.58
Polar Surface Area: 72 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 240.0±5.0 cm3

Click to predict properties on the Chemicalize site


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