| CAS Number | 115650-77-6 |
| Catalog Number | AG000GOO(AGN-PC-000O75) |
| Chemical Name | 3,5-Difluorobenzene-1-sulfonyl fluoride |
| IUPAC Name | 3,5-difluorobenzenesulfonyl fluoride |
| InChI | InChI=1S/C6H3F3O2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H |
| InChI Key | JYGATZXHCCSYOB-UHFFFAOYSA-N |
| MDL Number | MFCD22192506 |
| Molecular Formula | C6H3F3O2S |
| Molecular Weight | 196.1470 |
| SMILES | FC1=CC(S(F)(=O)=O)=CC(F)=C1 |
| Synonyms | 115650-77-6,
Benzenesulfonyl fluoride, 3,5-difluoro-,
3,5-Difluorobenzene-1-sulfonyl fluoride,
ACMC-20mlf0,
SCHEMBL4900823,
CTK0C6325,
DTXSID60557207,
JYGATZXHCCSYOB-UHFFFAOYSA-N,
3,5-difluorobenzenesulfonyl fluoride,
AKOS034834129,
ZINC139290604,
ES-2172,
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| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.143g/mol |
| Monoisotopic Mass | 195.981g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number