| CAS Number | 923681-70-3 |
| Catalog Number | AG019MMB(AGN-PC-0WO18W) |
| Chemical Name | methyl 1-(chlorosulfonyl)piperidine-4-carboxylate |
| IUPAC Name | methyl 1-chlorosulfonylpiperidine-4-carboxylate |
| InChI | InChI=1S/C7H12ClNO4S/c1-13-7(10)6-2-4-9(5-3-6)14(8,11)12/h6H,2-5H2,1H3 |
| InChI Key | VKNAOSFWHPEUSP-UHFFFAOYSA-N |
| MDL Number | MFCD08444928 |
| Molecular Formula | C7H12ClNO4S |
| Molecular Weight | 241.6925 |
| SMILES | COC(C1CCN(S(Cl)(=O)=O)CC1)=O |
| Synonyms | methyl 1-(chlorosulfonyl)piperidine-4-carboxylate,
923681-70-3,
AC1Q43XV,
SCHEMBL3013834,
CTK6J0852,
AKOS009113525,
ZINC100407487,
MCULE-6459242670,
NE27786,
EN300-36599,
methyl 1-(chlorosulfonyl)piperidine-4-carboxylate, AldrichCPR,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.686g/mol |
| Monoisotopic Mass | 241.018g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number