| CAS Number | 2137746-17-7 |
| Catalog Number | AG01EIXM |
| Chemical Name | tert-butyl 7-[(chlorosulfonyl)methyl]-6-oxa-2-azaspiro[3.4]octane-2-carboxylate |
| IUPAC Name | tert-butyl 7-(chlorosulfonylmethyl)-6-oxa-2-azaspiro[3.4]octane-2-carboxylate |
| InChI | InChI=1S/C12H20ClNO5S/c1-11(2,3)19-10(15)14-6-12(7-14)4-9(18-8-12)5-20(13,16)17/h9H,4-8H2,1-3H3 |
| InChI Key | PYBZIDOKXLXXHJ-UHFFFAOYSA-N |
| MDL Number | MFCD31453597 |
| Molecular Formula | C12H20ClNO5S |
| Molecular Weight | 325.8089 |
| SMILES | CC(OC(N1CC2(CC(CS(Cl)(=O)=O)OC2)C1)=O)(C)C |
| Synonyms | tert-butyl 7-[(chlorosulfonyl)methyl]-6-oxa-2-azaspiro[3.4]octane-2-carboxylate,
2137746-17-7,
|
| Complexity | 487 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.804g/mol |
| Monoisotopic Mass | 325.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number