| CAS Number | 1311317-42-6 |
| Catalog Number | AG00HSDX(AGN-PC-0WO3P3) |
| Chemical Name | Benzyl 3-(chlorosulfonyl)piperidine-1-carboxylate |
| IUPAC Name | benzyl 3-chlorosulfonylpiperidine-1-carboxylate |
| InChI | InChI=1S/C13H16ClNO4S/c14-20(17,18)12-7-4-8-15(9-12)13(16)19-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2 |
| InChI Key | MCYGNOGDLRRQSD-UHFFFAOYSA-N |
| MDL Number | MFCD18483324 |
| Molecular Formula | C13H16ClNO4S |
| Molecular Weight | 317.7884 |
| SMILES | ClS(C1CN(C(OCC2=CC=CC=C2)=O)CCC1)(=O)=O |
| Synonyms | BENZYL 3-(CHLOROSULFONYL)PIPERIDINE-1-CARBOXYLATE,
1311317-42-6,
SCHEMBL17648490,
MCYGNOGDLRRQSD-UHFFFAOYSA-N,
AKOS023402309,
NE59711,
BS-14085,
DB-094036,
EN300-74537,
benzyl 3-chlorosulfonylpiperidine-1-carboxylate,
F9995-2345,
3-(Chlorosulfonyl)piperidine-1-carboxylic acid benzyl ester,
|
| Complexity | 428 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.048857g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.79g/mol |
| Monoisotopic Mass | 317.048857g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.1Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number