| CAS Number | 2031259-04-6 |
| Catalog Number | AG01B74L |
| Chemical Name | 3,5-difluoropyridine-4-sulfonyl fluoride |
| IUPAC Name | 3,5-difluoropyridine-4-sulfonyl fluoride |
| InChI | InChI=1S/C5H2F3NO2S/c6-3-1-9-2-4(7)5(3)12(8,10)11/h1-2H |
| InChI Key | AXJIOUBYMDRSBC-UHFFFAOYSA-N |
| MDL Number | MFCD30344966 |
| Molecular Formula | C5H2F3NO2S |
| Molecular Weight | 197.1351 |
| SMILES | FC1=C(S(F)(=O)=O)C(F)=CN=C1 |
| Synonyms | 3,5-difluoropyridine-4-sulfonyl fluoride,
2031259-04-6,
ZINC521399145,
ES-2220,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.131g/mol |
| Monoisotopic Mass | 196.976g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number