Found 408 results

Search term: MF = 'C_{15}H_{17}FO_{3}S'
ChemSpider 2D Image | (2E)-3-{3-Fluoro-4-[(tetrahydro-2H-pyran-4-ylsulfanyl)methyl]phenyl}acrylic acid | C15H17FO3S

(2E)-3-{3-Fluoro-4-[(tetrahydro-2H-pyran-4-ylsulfanyl)methyl]phenyl}acrylic acid

  • Molecular FormulaC15H17FO3S
  • Average mass296.357 Da
  • Monoisotopic mass296.088257 Da
  • ChemSpider ID40507551

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-{3-Fluor-4-[(tetrahydro-2H-pyran-4-ylsulfanyl)methyl]phenyl}acrylsäure [German] [ACD/IUPAC Name]
(2E)-3-{3-Fluoro-4-[(tetrahydro-2H-pyran-4-ylsulfanyl)methyl]phenyl}acrylic acid [ACD/IUPAC Name]
2-Propenoic acid, 3-[3-fluoro-4-[[(tetrahydro-2H-pyran-4-yl)thio]methyl]phenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-{3-fluoro-4-[(tétrahydro-2H-pyran-4-ylsulfanyl)méthyl]phényl}acrylique [French] [ACD/IUPAC 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: 460.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 232.1±28.7 °C
Index of Refraction: 1.586
Molar Refractivity: 77.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 8.70
ACD/KOC (pH 5.5): 73.68
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.20
Polar Surface Area: 72 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 231.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement