| CAS Number | 1160247-52-8 |
| Catalog Number | AG00HD87(AGN-PC-0WG4IC) |
| Chemical Name | tert-Butyl 7-bromo-3-oxo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate |
| IUPAC Name | tert-butyl 7-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate |
| InChI | InChI=1S/C18H22BrNO3/c1-17(2,3)23-16(22)20-9-7-18(8-10-20)11-14(21)12-5-4-6-13(19)15(12)18/h4-6H,7-11H2,1-3H3 |
| InChI Key | BTKGZHPVSDECPY-UHFFFAOYSA-N |
| MDL Number | MFCD12198608 |
| Molecular Formula | C18H22BrNO3 |
| Molecular Weight | 380.2762 |
| SMILES | CC(C)(C)OC(=O)N1CCC2(CC(=O)c3cccc(Br)c23)CC1 |
| Synonyms | 1160247-52-8,
tert-butyl 7-bromo-3-oxo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate,
Tert-Butyl 7-Bromo-3-Oxo-2,3-Dihydrospiro[Indene-1,4-Piperidine]-1-Carboxylate,
SCHEMBL1951095,
BTKGZHPVSDECPY-UHFFFAOYSA-N,
MFCD12198608,
ZINC91302713,
AM804734,
CS-0036796,
t-Butyl 7-bromo-3-oxo-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate,
tert-Butyl7-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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