ChemSpider 2D Image | 4-[(Diethoxyphosphoryl)oxy]butyl {(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetate | C28H34FO7PS

4-[(Diethoxyphosphoryl)oxy]butyl {(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetate

  • Molecular FormulaC28H34FO7PS
  • Average mass564.602 Da
  • Monoisotopic mass564.174683 Da
  • ChemSpider ID32739492

  • 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-(méthylsulfinyl)benzylidène]-1H-indén-3-yl}acétate de 4-[(diéthoxyphosphoryl)oxy]butyle [French] [ACD/IUPAC Name]
1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-[[4-(methylsulfinyl)phenyl]methylene]-, 4-[(diethoxyphosphinyl)oxy]butyl ester, (1Z)- [ACD/Index Name]
4-[(Diethoxyphosphoryl)oxy]butyl {(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetate [ACD/IUPAC Name]
4-[(Diethoxyphosphoryl)oxy]butyl-{(1Z)-5-fluor-2-methyl-1-[4-(methylsulfinyl)benzyliden]-1H-inden-3-yl}acetat [German] [ACD/IUPAC Name]
1118973-90-2 [RN]
4-[(DIETHOXYPHOSPHORYL)OXY]BUTYL 2-[(1Z)-5-FLUORO-1-[(4-METHANESULFINYLPHENYL)METHYLIDENE]-2-METHYL-1H-INDEN-3-YL]ACETATE
4-[(DIETHOXYPHOSPHORYL)OXY]BUTYL 2-[(3Z)-6-FLUORO-3-[(4-METHANESULFINYLPHENYL)METHYLIDENE]-2-METHYLINDEN-1-YL]ACETATE
oxt-328

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

Density: 1.3±0.1 g/cm3
Boiling Point: 685.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 368.3±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 145.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 2145.52
ACD/KOC (pH 5.5): 8439.32
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2145.52
ACD/KOC (pH 7.4): 8439.32
Polar Surface Area: 117 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 437.7±5.0 cm3

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