ChemSpider 2D Image | Methyl 4-{[3-(2,2,2-trifluoroethoxy)-1-azetidinyl]sulfonyl}benzoate | C13H14F3NO5S

Methyl 4-{[3-(2,2,2-trifluoroethoxy)-1-azetidinyl]sulfonyl}benzoate

  • Molecular FormulaC13H14F3NO5S
  • Average mass353.314 Da
  • Monoisotopic mass353.054474 Da
  • ChemSpider ID58396265

More details:

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

4-{[3-(2,2,2-Trifluoroéthoxy)-1-azétidinyl]sulfonyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[3-(2,2,2-trifluoroethoxy)-1-azetidinyl]sulfonyl]-, methyl ester [ACD/Index Name]
Methyl 4-{[3-(2,2,2-trifluoroethoxy)-1-azetidinyl]sulfonyl}benzoate [ACD/IUPAC Name]
Methyl-4-{[3-(2,2,2-trifluorethoxy)-1-azetidinyl]sulfonyl}benzoat [German] [ACD/IUPAC Name]
2310207-86-2 [RN]
methyl 4-((3-(2,2,2-trifluoroethoxy)azetidin-1-yl)sulfonyl)benzoate
methyl 4-{[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]sulfonyl}benzoate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 435.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 217.4±31.5 °C
Index of Refraction: 1.534
Molar Refractivity: 73.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.68
ACD/KOC (pH 5.5): 519.65
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.68
ACD/KOC (pH 7.4): 519.65
Polar Surface Area: 81 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 237.4±5.0 cm3

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