Home Fluorides 113507-82-7
113507-82-7,MFCD00153237
Catalog No.:AA0008QO
113507-82-7 | Perfluoro(2-ethoxyethane)sulfonic acid
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Technical Information
Catalog Number:
AA0008QO
Chemical Name:
Perfluoro(2-ethoxyethane)sulfonic acid
CAS Number:
113507-82-7
Molecular Formula:
C4HF9O4S
Molecular Weight:
316.0990
MDL Number:
MFCD00153237
IUPAC Name:
1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid
InChI:
InChI=1S/C4HF9O4S/c5-1(6,7)2(8,9)17-3(10,11)4(12,13)18(14,15)16/h(H,14,15,16)
InChI Key:
RJGUAQKOHAABLK-UHFFFAOYSA-N
SMILES:
FC(C(F)(F)F)(OC(C(S(=O)(=O)O)(F)F)(F)F)F
Properties
Computed Properties
 
Complexity:
403  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.945g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
316.094g/mol
Monoisotopic Mass:
315.945g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Synonyms
 
113507-82-7 
Perfluoro(2-ethoxyethane)sulfonic acid 
SCHEMBL890672 
CTK4A8330 
DTXSID50379814 
ZX-AP003049 
ANW-55948 
PC6005 
Perfluoro(2-ethoxyethanesulfonic)acid 
ZINC95671202 
1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic Acid 
AKOS016001112 
1,1,2,2-Tetrafluoro-2-(perfluoroethoxy)ethanesulfonic acid 
RTR-002610 
AX8147165 
TR-002610 
FT-0676790 
2-(Pentafluoroethoxy)-tetrafluoroethanesulfonic acid 
J-508163 
1,1,2,2-tetrafluoro-2-(pentafluoroethoxy)ethanesulfonic acid 
1,1,2,2-Tetrafluoro-2-(perfluoroethoxy)-ethanesulfonic acid 
1,1,2,2-tetrafluoro-2-(pentafluoroethoxy)ethane-1-sulfonic acid 
Ethanesulfonic acid, 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)- 
perfluoro(2-ethoxyethane)sulphonic acid 
CID2776108 
2-bromo-1,1,1-trifluoro-3-methoxypropane 
Perfluoro(2-ethoxyethane)sulfonic acid 100g 
tetrafluoro-2-(pentafluoroethoxy)ethanesulfonic acid 
MFCD00153237 
Ethanesulfonic acid,1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)- 
RJGUAQKOHAABLK-UHFFFAOYSA-N 
ACMC-20a3vi 
AC1MCQQ0 
Literature

Title: Infrared spectroscopic and DFT vibrational mode study of perfluoro(2-ethoxyethane) sulfonic acid (PES), a model nafion side-chain molecule.

Journal: The journal of physical chemistry. B 20080828

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