ChemSpider 2D Image | 3-{2-Fluoro-4-[(2-{[2-(methylsulfonyl)ethoxy]methyl}phenyl)ethynyl]phenyl}propanoic acid | C21H21FO5S

3-{2-Fluoro-4-[(2-{[2-(methylsulfonyl)ethoxy]methyl}phenyl)ethynyl]phenyl}propanoic acid

  • Molecular FormulaC21H21FO5S
  • Average mass404.452 Da
  • Monoisotopic mass404.109375 Da
  • ChemSpider ID30825823

More details:

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

3-{2-Fluor-4-[(2-{[2-(methylsulfonyl)ethoxy]methyl}phenyl)ethinyl]phenyl}propansäure [German] [ACD/IUPAC Name]
3-{2-Fluoro-4-[(2-{[2-(methylsulfonyl)ethoxy]methyl}phenyl)ethynyl]phenyl}propanoic acid [ACD/IUPAC Name]
Acide 3-{2-fluoro-4-[(2-{[2-(méthylsulfonyl)éthoxy]méthyl}phényl)éthynyl]phényl}propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 2-fluoro-4-[2-[2-[[2-(methylsulfonyl)ethoxy]methyl]phenyl]ethynyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 629.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 334.4±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 103.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 23.20
ACD/KOC (pH 5.5): 178.39
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.81
Polar Surface Area: 89 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 303.8±5.0 cm3

Click to predict properties on the Chemicalize site


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