| CAS Number | 1251071-11-0 |
| Catalog Number | AG01EIV2 |
| Chemical Name | benzyl (2R)-2-[(chlorosulfonyl)methyl]pyrrolidine-1-carboxylate |
| IUPAC Name | benzyl (2R)-2-(chlorosulfonylmethyl)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C13H16ClNO4S/c14-20(17,18)10-12-7-4-8-15(12)13(16)19-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2/t12-/m1/s1 |
| InChI Key | WFSXSKWRWQOOAY-GFCCVEGCSA-N |
| MDL Number | MFCD31629060 |
| Molecular Formula | C13H16ClNO4S |
| Molecular Weight | 317.7884 |
| SMILES | ClS(C[C@@H]1N(C(OCC2=CC=CC=C2)=O)CCC1)(=O)=O |
| Synonyms | ZINC100611720,
benzyl (2R)-2-[(chlorosulfonyl)methyl]pyrrolidine-1-carboxylate,
1251071-11-0,
|
| Complexity | 428 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.784g/mol |
| Monoisotopic Mass | 317.049g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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