| CAS Number | 2060057-04-5 |
| Catalog Number | AG01BV4F |
| Chemical Name | benzyl 2-[(fluorosulfonyl)methyl]piperidine-1-carboxylate |
| IUPAC Name | benzyl 2-(fluorosulfonylmethyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C14H18FNO4S/c15-21(18,19)11-13-8-4-5-9-16(13)14(17)20-10-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2 |
| InChI Key | CLVQKTFJCXYOIJ-UHFFFAOYSA-N |
| MDL Number | MFCD30497572 |
| Molecular Formula | C14H18FNO4S |
| Molecular Weight | 315.3604 |
| SMILES | FS(CC1N(C(OCC2=CC=CC=C2)=O)CCCC1)(=O)=O |
| Synonyms | benzyl 2-[(fluorosulfonyl)methyl]piperidine-1-carboxylate,
2060057-04-5,
ES-2224,
|
| Complexity | 442 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.359g/mol |
| Monoisotopic Mass | 315.094g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number