ChemSpider 2D Image | 4-Hydroxybutyl {(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfonyl)benzylidene]-1H-inden-3-yl}acetate | C24H25FO5S

4-Hydroxybutyl {(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfonyl)benzylidene]-1H-inden-3-yl}acetate

  • Molecular FormulaC24H25FO5S
  • Average mass444.516 Da
  • Monoisotopic mass444.140686 Da
  • ChemSpider ID31124415

  • Double-bond stereo - Double-bond stereo

More details:

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

{(1Z)-5-Fluoro-2-méthyl-1-[4-(méthylsulfonyl)benzylidène]-1H-indén-3-yl}acétate de 4-hydroxybutyle [French] [ACD/IUPAC Name]
1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-[[4-(methylsulfonyl)phenyl]methylene]-, 4-hydroxybutyl ester, (1Z)- [ACD/Index Name]
4-Hydroxybutyl {(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfonyl)benzylidene]-1H-inden-3-yl}acetate [ACD/IUPAC Name]
4-Hydroxybutyl-{(1Z)-5-fluor-2-methyl-1-[4-(methylsulfonyl)benzyliden]-1H-inden-3-yl}acetat [German] [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: 639.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 340.3±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 116.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 405.52
ACD/KOC (pH 5.5): 2561.04
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 405.52
ACD/KOC (pH 7.4): 2561.04
Polar Surface Area: 89 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 346.2±3.0 cm3

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