ChemSpider 2D Image | 4-{(1Z)-1-Hydroxy-1-[(methylsulfonyl)amino]-1-propen-2-yl}phenyl trifluoromethanesulfonate | C11H12F3NO6S2

4-{(1Z)-1-Hydroxy-1-[(methylsulfonyl)amino]-1-propen-2-yl}phenyl trifluoromethanesulfonate

  • Molecular FormulaC11H12F3NO6S2
  • Average mass375.341 Da
  • Monoisotopic mass375.005798 Da
  • ChemSpider ID95767018

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{(1Z)-1-Hydroxy-1-[(methylsulfonyl)amino]-1-propen-2-yl}phenyl trifluoromethanesulfonate [ACD/IUPAC Name]
4-{(1Z)-1-Hydroxy-1-[(methylsulfonyl)amino]-1-propen-2-yl}phenyl-trifluormethansulfonat [German] [ACD/IUPAC Name]
Methanesulfonic acid, 1,1,1-trifluoro-, 4-[(Z)-2-hydroxy-1-methyl-2-[(methylsulfonyl)amino]ethenyl]phenyl ester [ACD/Index Name]
Trifluorométhanesulfonate de 4-{(1Z)-1-hydroxy-1-[(méthylsulfonyl)amino]-1-propén-2-yl}phényle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 479.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 243.9±31.5 °C
Index of Refraction: 1.534
Molar Refractivity: 74.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.40
ACD/KOC (pH 5.5): 525.78
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.87
ACD/KOC (pH 7.4): 519.45
Polar Surface Area: 127 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 238.9±3.0 cm3

Click to predict properties on the Chemicalize site


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