| CAS Number | 855849-89-7 |
| Catalog Number | AG00IDPM(AGN-PC-0V1C1R) |
| Chemical Name | tert-Butyl 6-chlorospiro[indene-1,4'-piperidine]-1'-carboxylate |
| IUPAC Name | tert-butyl 6-chlorospiro[indene-1,4'-piperidine]-1'-carboxylate |
| InChI | InChI=1S/C18H22ClNO2/c1-17(2,3)22-16(21)20-10-8-18(9-11-20)7-6-13-4-5-14(19)12-15(13)18/h4-7,12H,8-11H2,1-3H3 |
| InChI Key | FCODHBUWEZUURU-UHFFFAOYSA-N |
| MDL Number | MFCD12198618 |
| Molecular Formula | C18H22ClNO2 |
| Molecular Weight | 319.8258 |
| SMILES | CC(C)(C)OC(=O)N1CCC2(CC1)C=Cc1ccc(Cl)cc21 |
| Synonyms | 855849-89-7,
tert-butyl 6-chlorospiro[indene-1,4'-piperidine]-1'-carboxylate,
SCHEMBL4917650,
MFCD12198618,
ZINC91302935,
AKOS027430239,
AM804898,
CS-0036064,
t-Butyl 6-chlorospiro[indene-1,4'-piperidine]-1'-carboxylate,
Tert-Butyl 6-Chlorospiro[Indene-1,4-Piperidine]-1-Carboxylate,
tert-Butyl6-chlorospiro[indene-1,4'-piperidine]-1'-carboxylate,
Spiro[1H-indene-1,4'-piperidine]-1'-carboxylic acid, 6-chloro-,1,1-dimethylethyl ester,
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| Complexity | 460 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.829g/mol |
| Monoisotopic Mass | 319.134g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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