| CAS Number | 1955473-63-8 |
| Catalog Number | AG01B24P |
| Chemical Name | Tert-butyl (2S)-1-(chlorosulfonyl)pyrrolidine-2-carboxylate |
| IUPAC Name | tert-butyl 1-chlorosulfonylpyrrolidine-2-carboxylate |
| InChI | InChI=1S/C9H16ClNO4S/c1-9(2,3)15-8(12)7-5-4-6-11(7)16(10,13)14/h7H,4-6H2,1-3H3 |
| InChI Key | MSXBIUKPGHGNLQ-UHFFFAOYSA-N |
| MDL Number | MFCD30180406 |
| Molecular Formula | C9H16ClNO4S |
| Molecular Weight | 269.7456 |
| SMILES | CC(OC([C@H]1N(S(Cl)(=O)=O)CCC1)=O)(C)C |
| Synonyms | 1955473-63-8,
tert-butyl (2S)-1-(chlorosulfonyl)pyrrolidine-2-carboxylate,
|
| Complexity | 368 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.74g/mol |
| Monoisotopic Mass | 269.049g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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