ChemSpider 2D Image | {(1E)-5-Fluoro-2-methyl-1-[4-(methylsulfanyl)benzylidene]-1H-inden-3-yl}acetate | C20H16FO2S

{(1E)-5-Fluoro-2-methyl-1-[4-(methylsulfanyl)benzylidene]-1H-inden-3-yl}acetate

  • Molecular FormulaC20H16FO2S
  • Average mass339.404 Da
  • Monoisotopic mass339.086060 Da
  • ChemSpider ID21200775
  • Charge - Charge

    Double-bond stereo - Double-bond stereo


More details:






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

{(1E)-5-Fluor-2-methyl-1-[4-(methylsulfanyl)benzyliden]-1H-inden-3-yl}acetat [German] [ACD/IUPAC Name]
{(1E)-5-Fluoro-2-methyl-1-[4-(methylsulfanyl)benzylidene]-1H-inden-3-yl}acetate [ACD/IUPAC Name]
{(1E)-5-Fluoro-2-méthyl-1-[4-(méthylsulfanyl)benzylidène]-1H-indén-3-yl}acétate [French] [ACD/IUPAC Name]
1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-[[4-(methylthio)phenyl]methylene]-, ion(1-), (1E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 526.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 272.1±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 318.02
ACD/KOC (pH 5.5): 944.54
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 5.24
ACD/KOC (pH 7.4): 15.58
Polar Surface Area: 65 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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