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Home > Fluorides > 113507-82-7
113507-82-7 | Ethanesulfonic acid, 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-
CAS No: 113507-82-7 Catalog No: AG0008TG MDL No:MFCD00153237
Product Description
Catalog Number:
AG0008TG
Chemical Name:
Ethanesulfonic acid, 1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)-
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
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
Literature
| Title | Journal |
|---|---|
| Infrared spectroscopic and DFT vibrational mode study of perfluoro(2-ethoxyethane) sulfonic acid (PES), a model nafion side-chain molecule. | The journal of physical chemistry. B 20080828 |
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