| CAS Number | 1874643-68-1 |
| Catalog Number | AG01B9PJ |
| Chemical Name | 2-(trifluoromethyl)oxane-4-sulfonyl chloride |
| IUPAC Name | 2-(trifluoromethyl)oxane-4-sulfonyl chloride |
| InChI | InChI=1S/C6H8ClF3O3S/c7-14(11,12)4-1-2-13-5(3-4)6(8,9)10/h4-5H,1-3H2 |
| InChI Key | YKICDCCDAJBAMS-UHFFFAOYSA-N |
| MDL Number | MFCD29501410 |
| Molecular Formula | C6H8ClF3O3S |
| Molecular Weight | 252.6391 |
| SMILES | FC(C1OCCC(S(Cl)(=O)=O)C1)(F)F |
| Synonyms | 2-(trifluoromethyl)oxane-4-sulfonyl chloride,
1874643-68-1,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.632g/mol |
| Monoisotopic Mass | 251.983g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number