| CAS Number | 1820687-96-4 |
| Catalog Number | AG00I0VS |
| Chemical Name | N-Boc-3-(benzylsulfonyl)azetidine |
| IUPAC Name | tert-butyl 3-benzylsulfonylazetidine-1-carboxylate |
| InChI | InChI=1S/C15H21NO4S/c1-15(2,3)20-14(17)16-9-13(10-16)21(18,19)11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3 |
| InChI Key | KYPJJYLMCTZZRG-UHFFFAOYSA-N |
| MDL Number | MFCD28143968 |
| Molecular Formula | C15H21NO4S |
| Molecular Weight | 311.3965 |
| SMILES | O=C(N1CC(C1)S(=O)(=O)Cc1ccccc1)OC(C)(C)C |
| Synonyms | N-BOC-3-(benzylsulfonyl)azetidine,
1820687-96-4,
tert-Butyl 3-(benzylsulfonyl)azetidine-1-carboxylate,
ZINC216708366,
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| Complexity | 463 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.396g/mol |
| Monoisotopic Mass | 311.119g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number