| CAS Number | 1160247-64-2 |
| Catalog Number | AG00HD8H(AGN-PC-0WG4IN) |
| Chemical Name | tert-Butyl 7-bromospiro[indene-1,4'-piperidine]-1'-carboxylate |
| IUPAC Name | tert-butyl 7-bromospiro[indene-1,4'-piperidine]-1'-carboxylate |
| InChI | InChI=1S/C18H22BrNO2/c1-17(2,3)22-16(21)20-11-9-18(10-12-20)8-7-13-5-4-6-14(19)15(13)18/h4-8H,9-12H2,1-3H3 |
| InChI Key | YUMZUCJOAFXZSF-UHFFFAOYSA-N |
| MDL Number | MFCD12198624 |
| Molecular Formula | C18H22BrNO2 |
| Molecular Weight | 364.2768 |
| SMILES | O=C(N1CCC2(CC1)C=Cc1c2c(Br)ccc1)OC(C)(C)C |
| Synonyms | 1160247-64-2,
tert-butyl 7-bromospiro[indene-1,4'-piperidine]-1'-carboxylate,
Tert-Butyl 7-Bromospiro[Indene-1,4-Piperidine]-1-Carboxylate,
AM804774,
CS-0038972,
tert-Butyl7-bromospiro[indene-1,4'-piperidine]-1'-carboxylate,
|
| Complexity | 460 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 363.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 364.283g/mol |
| Monoisotopic Mass | 363.083g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
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Certificate of Analysis
Lot Number