| CAS Number | 1194374-64-5 |
| Catalog Number | AG01C4X2 |
| Chemical Name | tert-butyl 6-bromo-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-1'-carboxylate |
| IUPAC Name | tert-butyl 6-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate |
| InChI | InChI=1S/C18H24BrNO3/c1-17(2,3)23-16(21)20-10-8-18(9-11-20)7-6-13-12-14(19)4-5-15(13)22-18/h4-5,12H,6-11H2,1-3H3 |
| InChI Key | NZSBMAJIONQUET-UHFFFAOYSA-N |
| MDL Number | MFCD11227132 |
| Molecular Formula | C18H24BrNO3 |
| Molecular Weight | 382.2921 |
| SMILES | BrC=1C=C2CCC3(CCN(CC3)C(=O)OC(C)(C)C)OC2=CC1 |
| Synonyms | 1194374-64-5,
tert-butyl 6-bromospiro[chromane-2,4'-piperidine]-1'-carboxylate,
tert-butyl 6-bromo-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-1'-carboxylate,
SCHEMBL12491618,
MFCD11227132,
ZINC203785665,
AS-43870,
1'-N-Boc-6-Bromo-spiro[chroman-2,4'-piperidine],
t-Butyl 6-bromospiro[chromane-2,4'-piperidine]-1'-carboxylate,
1'-(tert-Butoxycarbonyl)-6-bromo-3,4-dihydrospiro[2H-1-benzopyran-2,4'-piperidine],
|
| Complexity | 440 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 381.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 382.298g/mol |
| Monoisotopic Mass | 381.094g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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