| CAS Number | 438192-14-4 |
| Catalog Number | AG00DBIG(AGN-PC-0WCL3D) |
| Chemical Name | Benzyl 5-bromospiro[indoline-3,4'-piperidine]-1'-carboxylate |
| IUPAC Name | benzyl 5-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate |
| InChI | InChI=1S/C20H21BrN2O2/c21-16-6-7-18-17(12-16)20(14-22-18)8-10-23(11-9-20)19(24)25-13-15-4-2-1-3-5-15/h1-7,12,22H,8-11,13-14H2 |
| InChI Key | DWOCYIKLSHIHNH-UHFFFAOYSA-N |
| MDL Number | MFCD16036610 |
| Molecular Formula | C20H21BrN2O2 |
| Molecular Weight | 401.2969 |
| SMILES | Brc1ccc2NCC3(CCN(CC3)C(=O)OCc3ccccc3)c2c1 |
| Synonyms | 438192-14-4,
BENZYL 5-BROMOSPIRO[INDOLINE-3,4'-PIPERIDINE]-1'-CARBOXYLATE,
SCHEMBL15676882,
MFCD16036610,
ZINC95698573,
PB25543,
OR315461,
SC-34897,
CS-0037409,
benzyl 5-bromospiro[indoline-3,4'-piperidine]-1'-c,
BENZYL 5-BROMOSPIRO[INDOLINE-3,4-PIPERIDINE]-1-CARBOXYLATE,
BENZYL 5-BROMO-1,2-DIHYDROSPIRO[INDOLE-3,4'-PIPERIDINE]-1'-CARBOXYLATE,
Benzyl5-bromospiro[indoline-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
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