| CAS Number | 1803608-08-3 |
| Catalog Number | AG01BBMI |
| Chemical Name | tert-butyl 4-[(chlorosulfonyl)methyl]-4-fluoropiperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(chlorosulfonylmethyl)-4-fluoropiperidine-1-carboxylate |
| InChI | InChI=1S/C11H19ClFNO4S/c1-10(2,3)18-9(15)14-6-4-11(13,5-7-14)8-19(12,16)17/h4-8H2,1-3H3 |
| InChI Key | NXHGNDFJWFCSPS-UHFFFAOYSA-N |
| MDL Number | MFCD28506055 |
| Molecular Formula | C11H19ClFNO4S |
| Molecular Weight | 315.7893 |
| SMILES | CC(OC(N1CCC(CS(Cl)(=O)=O)(F)CC1)=O)(C)C |
| Synonyms | tert-butyl 4-[(chlorosulfonyl)methyl]-4-fluoropiperidine-1-carboxylate,
1803608-08-3,
ZINC238854474,
|
| Complexity | 433 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.784g/mol |
| Monoisotopic Mass | 315.071g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number