| CAS Number | 1187160-31-1 |
| Catalog Number | AG01FL4G(AGN-PC-0WCWC1) |
| Chemical Name | 3,3-Difluoropyrrolidine-1-sulfonyl chloride |
| IUPAC Name | 3,3-difluoropyrrolidine-1-sulfonyl chloride |
| InChI | InChI=1S/C4H6ClF2NO2S/c5-11(9,10)8-2-1-4(6,7)3-8/h1-3H2 |
| InChI Key | ZRSSBSNLKROXSQ-UHFFFAOYSA-N |
| MDL Number | MFCD27918725 |
| Molecular Formula | C4H6ClF2NO2S |
| Molecular Weight | 205.6107 |
| SMILES | O=S(N1CC(F)(F)CC1)(Cl)=O |
| Synonyms | 3,3-Difluoropyrrolidine-1-sulfonyl chloride,
1187160-31-1,
1-Pyrrolidinesulfonylchloride,3,3-difluoro-,
SCHEMBL9991817,
BBL102573,
STL556376,
ZINC97976236,
AKOS017344866,
MS-20460,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.977584g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.61g/mol |
| Monoisotopic Mass | 204.977584g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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