| CAS Number | 473737-34-7 |
| Catalog Number | AG00I8MY(AGN-PC-0WCL3E) |
| Chemical Name | benzyl 4-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate |
| IUPAC Name | benzyl 4-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate |
| InChI | InChI=1S/C20H21BrN2O2/c21-16-7-4-8-17-18(16)20(14-22-17)9-11-23(12-10-20)19(24)25-13-15-5-2-1-3-6-15/h1-8,22H,9-14H2 |
| InChI Key | HDOGWWUPVQLVCT-UHFFFAOYSA-N |
| MDL Number | MFCD11975882 |
| Molecular Formula | C20H21BrN2O2 |
| Molecular Weight | 401.2969 |
| SMILES | O=C(OCc1ccccc1)N1CCC2(CC1)CNc1cccc(Br)c12 |
| Synonyms | BENZYL 4-BROMOSPIRO[INDOLINE-3,4'-PIPERIDINE]-1'-CARBOXYLATE,
473737-34-7,
SCHEMBL3167926,
MFCD11975882,
ZINC79033759,
AKOS025403808,
PB19226,
SC-29585,
CS-0037485,
benzyl 4-bromospiro[indoline-3,4'-piperidine]-1'-c,
benzyl 4-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate,
BENZYL 4-BROMO-1,2-DIHYDROSPIRO[INDOLE-3,4'-PIPERIDINE]-1'-CARBOXYLATE,
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| Complexity | 472 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 400.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 401.304g/mol |
| Monoisotopic Mass | 400.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number