| CAS Number | 1232133-62-8 |
| Catalog Number | AG00HH73(AGN-PC-0WQUPK) |
| Chemical Name | [4-(Trifluoromethyl)phenyl](2,4,6-trimethylphenyl)iodonium Trifluoromethanesulfonate |
| IUPAC Name | trifluoromethanesulfonate;[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium |
| InChI | InChI=1S/C16H15F3I.CHF3O3S/c1-10-8-11(2)15(12(3)9-10)20-14-6-4-13(5-7-14)16(17,18)19;2-1(3,4)8(5,6)7/h4-9H,1-3H3;(H,5,6,7)/q+1;/p-1 |
| InChI Key | XTTMIKRDUJQRGJ-UHFFFAOYSA-M |
| MDL Number | MFCD27978254 |
| Molecular Formula | C17H15F6IO3S |
| Molecular Weight | 540.2591 |
| SMILES | CC1=C([I+]C2=CC=C(C(F)(F)F)C=C2)C(C)=CC(C)=C1.FC(F)(S([O-])(=O)=O)F |
| Synonyms | [4-(Trifluoromethyl)phenyl](2,4,6-trimethylphenyl)iodonium Trifluoromethanesulfonate,
1232133-62-8,
Mesityl[4-(trifluoromethyl)phenyl]iodonium Triflate,
MFCD27978254,
[4-(Trifluoromethyl)phenyl](2,4,6-trimethylphenyl)iodonium triflate,
[4-(Trifluoromethyl)phenyl](2,4,6-trimethylphenyl)iodonium triflate, >=98% (HPLC),
T3446,
|
| Complexity | 440 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 539.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 540.259g/mol |
| Monoisotopic Mass | 539.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number