| CAS Number | 721958-63-0 |
| Catalog Number | AG00FG3T(AGN-PC-0WRAAW) |
| Chemical Name | Tert-butyl 6-fluoro-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate |
| IUPAC Name | tert-butyl 6-fluoro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate |
| InChI | InChI=1S/C18H22FNO4/c1-17(2,3)24-16(22)20-8-6-18(7-9-20)11-14(21)13-10-12(19)4-5-15(13)23-18/h4-5,10H,6-9,11H2,1-3H3 |
| InChI Key | IZHCJTGKBMXNHV-UHFFFAOYSA-N |
| MDL Number | MFCD04037213 |
| Molecular Formula | C18H22FNO4 |
| Molecular Weight | 335.3700 |
| SMILES | CC(OC(N1CCC2(OC3=C(C=C(C=C3)F)C(=O)C2)CC1)=O)(C)C |
| Synonyms | 721958-63-0,
tert-butyl 6-fluoro-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate,
1'-BOC-6-FLUORO-4-OXOSPIRO[CHROMAN-2,4'-PIPERIDINE],
SCHEMBL1690779,
DTXSID20471935,
IZHCJTGKBMXNHV-UHFFFAOYSA-N,
6-FLUORO-4-OXO-2-SPIRO(N-BOC-PIPERIDINE-4-YL)-BENZOPYRAN,
ZINC2524477,
MFCD04037213,
AKOS015969618,
AS-36048,
tert-butyl 6-fluoro-4-oxo-spiro[chromane-2,4'-piperidine]-1'-carboxylate,
tert-Butyl 6-fluoro-4-oxo-3,4-dihydro-1'H-spiro[1-benzopyran-2,4'-piperidine]-1'-carboxylate,
CID11759463,
Tert-butyl 6-fluoro-4-oxo-spiro[chroman-2,4'-piperidine]-1'-carboxylate,
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| Complexity | 508 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.375g/mol |
| Monoisotopic Mass | 335.153g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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