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Home > Fluorides > 199188-29-9
199188-29-9 | Methanesulfonic acid, 1,1,1-trifluoro-, 2-(trifluoromethyl)phenyl ester
CAS No: 199188-29-9 Catalog No: AG002BYN MDL No:
Product Description
Catalog Number:
AG002BYN
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 2-(trifluoromethyl)phenyl ester
CAS Number:
199188-29-9
Molecular Formula:
C8H4F6O3S
Molecular Weight:
294.1710
IUPAC Name:
[2-(trifluoromethyl)phenyl] trifluoromethanesulfonate
InChI:
InChI=1S/C8H4F6O3S/c9-7(10,11)5-3-1-2-4-6(5)17-18(15,16)8(12,13)14/h1-4H
InChI Key:
MBDZFQGLSLLIIE-UHFFFAOYSA-N
SMILES:
FC(c1ccccc1OS(=O)(=O)C(F)(F)F)(F)F
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.979g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.167g/mol
Monoisotopic Mass:
293.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| A practical enantioselective synthesis of odanacatib, a potent Cathepsin K inhibitor, via triflate displacement of an alpha-trifluoromethylbenzyl triflate. | The Journal of organic chemistry 20090220 |
| On the preparation of ortho-trifluoromethyl phenyl triflate. | Organic & biomolecular chemistry 20040907 |
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