| CAS Number | 1868173-15-2 |
| Catalog Number | AG00IML6(AGN-PC-0WQUPO) |
| Chemical Name | [(4-Trifluoromethyl)phenyl](2,4,6-trimethoxyphenyl)iodonium p-Toluenesulfonate |
| IUPAC Name | 4-methylbenzenesulfonate;[4-(trifluoromethyl)phenyl]-(2,4,6-trimethoxyphenyl)iodanium |
| InChI | InChI=1S/C16H15F3IO3.C7H8O3S/c1-21-12-8-13(22-2)15(14(9-12)23-3)20-11-6-4-10(5-7-11)16(17,18)19;1-6-2-4-7(5-3-6)11(8,9)10/h4-9H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1 |
| InChI Key | RTMJODUYHFSMBJ-UHFFFAOYSA-M |
| MDL Number | MFCD30725767 |
| Molecular Formula | C23H22F3IO6S |
| Molecular Weight | 610.3819 |
| SMILES | COC1=C([I+]C2=CC=C(C(F)(F)F)C=C2)C(OC)=CC(OC)=C1.CC3=CC=C(S(=O)([O-])=O)C=C3 |
| Synonyms | [(4-Trifluoromethyl)phenyl](2,4,6-trimethoxyphenyl)iodonium p-toluenesulfonate,
1868173-15-2,
MFCD30725767,
[(4-Trifluoromethyl)phenyl](2,4,6-trimethoxyphenyl)iodonium Tosylate,
T3622,
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| Complexity | 538 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 610.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 610.383g/mol |
| Monoisotopic Mass | 610.013g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 93.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number