| CAS Number | 765962-70-7 |
| Catalog Number | AG00G4LG(AGN-PC-00UY5I) |
| Chemical Name | ethyl 1-(chlorosulfonyl)piperidine-3-carboxylate |
| IUPAC Name | ethyl 1-chlorosulfonylpiperidine-3-carboxylate |
| InChI | InChI=1S/C8H14ClNO4S/c1-2-14-8(11)7-4-3-5-10(6-7)15(9,12)13/h7H,2-6H2,1H3 |
| InChI Key | AYLNINMKMQOFAN-UHFFFAOYSA-N |
| MDL Number | MFCD08444865 |
| Molecular Formula | C8H14ClNO4S |
| Molecular Weight | 255.7191 |
| SMILES | S(Cl)(=O)(=O)N1CCCC(C(OCC)=O)C1 |
| Synonyms | ethyl 1-(chlorosulfonyl)piperidine-3-carboxylate,
765962-70-7,
ethyl 1-(chlorosulfonyl)-3-piperidinecarboxylate,
AC1Q34J5,
SCHEMBL3011694,
CTK6F6823,
MFCD08444865,
AKOS009113552,
MCULE-1963748103,
DA-18487,
RT-012514,
FT-0729612,
EN300-29226,
Y-3852,
F8880-7103,
ethyl 1-(chlorosulfonyl)piperidine-3-carboxylate(SALTDATA,
Ethyl 1-(chlorosulfonyl)-3-piperidinecarboxylate, AldrichCPR,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.713g/mol |
| Monoisotopic Mass | 255.033g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number