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Search term: AZGLLZCAKWZCBV-ZCFIWIBFSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-[(2R)-1-(Hydroxyamino)-1-oxo-2-propanyl]phenyl trifluoromethanesulfonate | C10H10F3NO5S

4-[(2R)-1-(Hydroxyamino)-1-oxo-2-propanyl]phenyl trifluoromethanesulfonate

  • Molecular FormulaC10H10F3NO5S
  • Average mass313.250 Da
  • Monoisotopic mass313.023163 Da
  • ChemSpider ID23288708

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-[(2R)-1-(Hydroxyamino)-1-oxo-2-propanyl]phenyl trifluoromethanesulfonate [ACD/IUPAC Name]
4-[(2R)-1-(Hydroxyamino)-1-oxo-2-propanyl]phenyl-trifluormethansulfonat [German] [ACD/IUPAC Name]
4-[(2R)-1-(hydroxyamino)-1-oxopropan-2-yl]phenyl trifluoromethanesulfonate
Methanesulfonic acid, 1,1,1-trifluoro-, 4-[(1R)-2-(hydroxyamino)-1-methyl-2-oxoethyl]phenyl ester [ACD/Index Name]
Trifluorométhanesulfonate de 4-[(2R)-1-(hydroxyamino)-1-oxo-2-propanyl]phényle [French] [ACD/IUPAC Name]
4-[(1R)-2-(hydroxyamino)-1-methyl-2-oxoethyl]phenyl trifluoromethanesulfonate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL388685/

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.513
Molar Refractivity: 61.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.28
ACD/KOC (pH 5.5): 184.52
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.07
ACD/KOC (pH 7.4): 180.68
Polar Surface Area: 101 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 204.4±3.0 cm3

Click to predict properties on the Chemicalize site


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