| CAS Number | 1201649-36-6 |
| Catalog Number | AG009KP4(AGN-PC-0WG4W8) |
| Chemical Name | 1'-Benzyl 1-tert-butyl 5-fluorospiro[indoline-3,4'-piperidine]-1,1'-dicarboxylate |
| IUPAC Name | 1-O'-benzyl 1-O-tert-butyl 5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylate |
| InChI | InChI=1S/C25H29FN2O4/c1-24(2,3)32-23(30)28-17-25(20-15-19(26)9-10-21(20)28)11-13-27(14-12-25)22(29)31-16-18-7-5-4-6-8-18/h4-10,15H,11-14,16-17H2,1-3H3 |
| InChI Key | YFQJCWCYBXZUEQ-UHFFFAOYSA-N |
| MDL Number | MFCD22377065 |
| Molecular Formula | C25H29FN2O4 |
| Molecular Weight | 440.5072 |
| SMILES | CC(C)(C)OC(=O)N1CC2(CCN(CC2)C(=O)OCc2ccccc2)c2cc(F)ccc12 |
| Synonyms | 1201649-36-6,
1'-Benzyl 1-tert-butyl 5-fluorospiro[indoline-3,4'-piperidine]-1,1'-dicarboxylate,
MFCD22377065,
AKOS027428908,
CS-0038422,
1'-Benzyl 1-(tert-butyl) 5-fluorospiro[indoline-3,4'-piperidine]-1,1'-dicarboxylate,
1'-Benzyl 1-t-butyl 5-fluorospiro[indoline-3,4'-piperidine]-1,1'-dicarboxylate,
1-benzyl 1-tert-butyl 5-fluorospiro[indoline-3,4-piperidine]-1,1-dicarboxylate,
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| Complexity | 680 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 440.211g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 440.515g/mol |
| Monoisotopic Mass | 440.211g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 59.1A^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
Lot Number