| CAS Number | 1041704-16-8 |
| Catalog Number | AG009KV3(AGN-PC-0WACK5) |
| Chemical Name | Benzyl 5-chlorospiro[indoline-3,4'-piperidine]-1'-carboxylate |
| IUPAC Name | benzyl 5-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate |
| InChI | InChI=1S/C20H21ClN2O2/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 | SLCDCBJWYWCCDM-UHFFFAOYSA-N |
| MDL Number | MFCD15071703 |
| Molecular Formula | C20H21ClN2O2 |
| Molecular Weight | 356.8459 |
| SMILES | Clc1ccc2NCC3(CCN(CC3)C(=O)OCc3ccccc3)c2c1 |
| Synonyms | 1041704-16-8,
BENZYL 5-CHLOROSPIRO[INDOLINE-3,4'-PIPERIDINE]-1'-CARBOXYLATE,
1'-N-Cbz-5-chlorospiro(indoline-3,4'-piperidine),
SCHEMBL3728320,
MFCD15071703,
ZINC51943359,
CC-1776,
MB14679,
OR315445,
AJ-111788,
CS-0036423,
Benzyl 5-Chlorospiro[Indoline-3,4-Piperidine]-1-Carboxylate,
Benzyl5-chlorospiro[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 | 356.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 356.85g/mol |
| Monoisotopic Mass | 356.129g/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