| CAS Number | 1820607-92-8 |
| Catalog Number | AG01FGEQ(AGN-PC-3H4AJM) |
| Chemical Name | 2-Chloro-4-fluoro-5-iodophenyl triflate |
| IUPAC Name | (2-chloro-4-fluoro-5-iodophenyl) trifluoromethanesulfonate |
| InChI | InChI=1S/C7H2ClF4IO3S/c8-3-1-4(9)5(13)2-6(3)16-17(14,15)7(10,11)12/h1-2H |
| InChI Key | GFXAPLUBFWKTGQ-UHFFFAOYSA-N |
| MDL Number | MFCD27937160 |
| Molecular Formula | C7H2ClF4IO3S |
| Molecular Weight | 404.5051 |
| SMILES | Clc1cc(F)c(cc1OS(=O)(=O)C(F)(F)F)I |
| Synonyms | 2-Chloro-4-fluoro-5-iodophenyl trifluoromethanesulphonate,
1820607-92-8,
MFCD27937160,
ZINC103625107,
FCH3129720,
PC500261,
PS-10057,
|
| Complexity | 368 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 403.839g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 404.498g/mol |
| Monoisotopic Mass | 403.839g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number