| CAS Number | 77797-87-6 |
| Catalog Number | AG01BH98(AGN-PC-0E6HAM) |
| Chemical Name | 2-trifluoromethanesulfonylbenzene-1-sulfonyl chloride |
| IUPAC Name | 2-(trifluoromethylsulfonyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C7H4ClF3O4S2/c8-17(14,15)6-4-2-1-3-5(6)16(12,13)7(9,10)11/h1-4H |
| InChI Key | OHTWWXFKNQKHNT-UHFFFAOYSA-N |
| MDL Number | MFCD16519539 |
| Molecular Formula | C7H4ClF3O4S2 |
| Molecular Weight | 308.6825 |
| SMILES | FC(S(C1=C(S(Cl)(=O)=O)C=CC=C1)(=O)=O)(F)F |
| Synonyms | 2-trifluoromethanesulfonylbenzene-1-sulfonyl chloride,
77797-87-6,
SCHEMBL1501796,
AKOS010998589,
ZINC105764405,
|
| Complexity | 471 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.919g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.67g/mol |
| Monoisotopic Mass | 307.919g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 85A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number