| CAS Number | 1868173-29-8 |
| Catalog Number | AG00IMHO(AGN-PC-0WQUN3) |
| Chemical Name | [4-Fluoro-3-(trifluoromethyl)phenyl](2,4,6-trimethoxyphenyl)iodonium p-Toluenesulfonate |
| IUPAC Name | [4-fluoro-3-(trifluoromethyl)phenyl]-(2,4,6-trimethoxyphenyl)iodanium;4-methylbenzenesulfonate |
| InChI | InChI=1S/C16H14F4IO3.C7H8O3S/c1-22-10-7-13(23-2)15(14(8-10)24-3)21-9-4-5-12(17)11(6-9)16(18,19)20;1-6-2-4-7(5-3-6)11(8,9)10/h4-8H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1 |
| InChI Key | JRLOQNMMXUNDFI-UHFFFAOYSA-M |
| MDL Number | MFCD30475655 |
| Molecular Formula | C23H21F4IO6S |
| Molecular Weight | 628.3723 |
| SMILES | COC1=C([I+]C2=CC=C(F)C(C(F)(F)F)=C2)C(OC)=CC(OC)=C1.CC3=CC=C(S(=O)([O-])=O)C=C3 |
| Synonyms | [4-Fluoro-3-(trifluoromethyl)phenyl](2,4,6-trimethoxyphenyl)iodonium p-toluenesulfonate,
1868173-29-8,
MFCD30475655,
F1111,
[4-Fluoro-3-(trifluoromethyl)phenyl](2,4,6-trimethoxyphenyl)iodonium Tosylate,
|
| Complexity | 575 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 628.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 628.373g/mol |
| Monoisotopic Mass | 628.004g/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
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