| CAS Number | 1160247-30-2 |
| Catalog Number | AG00HD7N(AGN-PC-0WG4HW) |
| Chemical Name | 1,1-Dimethylethyl 5-bromo-2,3-dihydro-3-oxospiro[1H-indene-1,4'-piperidine]-1'-carboxylate |
| IUPAC Name | tert-butyl 5-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate |
| InChI | InChI=1S/C18H22BrNO3/c1-17(2,3)23-16(22)20-8-6-18(7-9-20)11-15(21)13-10-12(19)4-5-14(13)18/h4-5,10H,6-9,11H2,1-3H3 |
| InChI Key | ZYHGCPHMBLZTFS-UHFFFAOYSA-N |
| MDL Number | MFCD12198586 |
| Molecular Formula | C18H22BrNO3 |
| Molecular Weight | 380.2762 |
| SMILES | BrC1=CC=C2C(C(CC32CCN(C(OC(C)(C)C)=O)CC3)=O)=C1 |
| Synonyms | 1160247-30-2,
tert-Butyl 5-bromo-3-oxo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate,
Tert-Butyl 5-Bromo-3-Oxo-2,3-Dihydrospiro[Indene-1,4-Piperidine]-1-Carboxylate,
MFCD12198586,
AKOS027255230,
AM804733,
CS-0035973,
tert-butyl 5-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate,
t-Butyl 5-bromo-3-oxo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate,
tert-Butyl5-bromo-3-oxo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate,
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| Complexity | 491 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 379.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 380.282g/mol |
| Monoisotopic Mass | 379.078g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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