| CAS Number | 1480151-85-6 |
| Catalog Number | AG00HXLS(AGN-PC-0WG4UF) |
| Chemical Name | tert-butyl 2-(4-fluoro-2-methylphenyl)-4-oxopiperidine-1-carboxylate |
| IUPAC Name | tert-butyl 2-(4-fluoro-2-methylphenyl)-4-oxopiperidine-1-carboxylate |
| InChI | InChI=1S/C17H22FNO3/c1-11-9-12(18)5-6-14(11)15-10-13(20)7-8-19(15)16(21)22-17(2,3)4/h5-6,9,15H,7-8,10H2,1-4H3 |
| InChI Key | ZIXNBIHJGZBQBM-UHFFFAOYSA-N |
| MDL Number | MFCD24537210 |
| Molecular Formula | C17H22FNO3 |
| Molecular Weight | 307.3599 |
| SMILES | O=C1CCN(C(C1)c1ccc(cc1C)F)C(=O)OC(C)(C)C |
| Synonyms | tert-Butyl 2-(4-fluoro-2-methylphenyl)-4-oxopiperidine-1-carboxylate,
1480151-85-6,
SCHEMBL3163732,
MFCD24537210,
AKOS027429988,
CS-0036023,
t-Butyl 2-(4-fluoro-2-methylphenyl)-4-oxopiperidine-1-carboxylate,
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| Complexity | 432 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.365g/mol |
| Monoisotopic Mass | 307.158g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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