| CAS Number | 2096990-26-8 |
| Catalog Number | AG01DTSJ |
| Chemical Name | (5S)-tert-butyl 3-bromo-5-methylpiperidine-1-caboxylate |
| IUPAC Name | tert-butyl 3-bromo-5-methylpiperidine-1-carboxylate |
| InChI | InChI=1S/C11H20BrNO2/c1-8-5-9(12)7-13(6-8)10(14)15-11(2,3)4/h8-9H,5-7H2,1-4H3 |
| InChI Key | GRHDGXGLBKWEQF-UHFFFAOYSA-N |
| MDL Number | MFCD30728491 |
| Molecular Formula | C11H20BrNO2 |
| Molecular Weight | 278.1860 |
| SMILES | C[C@H]1CC(Br)CN(C1)C(=O)OC(C)(C)C |
| Synonyms | (5R)-tert-butyl 3-bromo-5-methylpiperidine-1-carboxylate,
(5S)-tert-butyl 3-bromo-5-methylpiperidine-1-carboxylate,
2096990-26-8,
2096990-27-9,
SCHEMBL19837040,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.19g/mol |
| Monoisotopic Mass | 277.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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