| CAS Number | 1935368-66-3 |
| Catalog Number | AG01FH83(AGN-PC-3H4AME) |
| Chemical Name | 4-Fluoro-5-iodo-2-methylphenyl trifluoromethanesulfonate |
| IUPAC Name | (4-fluoro-5-iodo-2-methylphenyl) trifluoromethanesulfonate |
| InChI | InChI=1S/C8H5F4IO3S/c1-4-2-5(9)6(13)3-7(4)16-17(14,15)8(10,11)12/h2-3H,1H3 |
| InChI Key | UZTWSZOWCIJNFG-UHFFFAOYSA-N |
| MDL Number | MFCD28897193 |
| Molecular Formula | C8H5F4IO3S |
| Molecular Weight | 384.0866 |
| SMILES | Cc1cc(F)c(cc1OS(=O)(=O)C(F)(F)F)I |
| Synonyms | 4-Fluoro-5-iodo-2-methylphenyl trifluoromethanesulphonate,
1935368-66-3,
MFCD28897193,
ZINC169807544,
FCH3764438,
PC52088,
PS-11107,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 383.894g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 384.083g/mol |
| Monoisotopic Mass | 383.894g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number