| CAS Number | 2027785-88-0 |
| Catalog Number | AG01EH9O(AGN-PC-3H45F1) |
| Chemical Name | tert-Butyl 4-[(2,6-difluorophenyl)carbonyl]piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(2,6-difluorobenzoyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C17H21F2NO3/c1-17(2,3)23-16(22)20-9-7-11(8-10-20)15(21)14-12(18)5-4-6-13(14)19/h4-6,11H,7-10H2,1-3H3 |
| InChI Key | CZMGIAXJIRGMPS-UHFFFAOYSA-N |
| MDL Number | MFCD31621998 |
| Molecular Formula | C17H21F2NO3 |
| Molecular Weight | 325.3503 |
| SMILES | O=C(c1c(F)cccc1F)C1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | tert-Butyl 4-[(2,6-difluorophenyl)carbonyl]piperidine-1-carboxylate,
2027785-88-0,
|
| Complexity | 432 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.149g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.356g/mol |
| Monoisotopic Mass | 325.149g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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