| CAS Number | 586412-88-6 |
| Catalog Number | AG00IAF6(AGN-PC-00UOZU) |
| Chemical Name | tert-Butyl 4-(3-nitrophenoxy)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(3-nitrophenoxy)piperidine-1-carboxylate |
| InChI | InChI=1S/C16H22N2O5/c1-16(2,3)23-15(19)17-9-7-13(8-10-17)22-14-6-4-5-12(11-14)18(20)21/h4-6,11,13H,7-10H2,1-3H3 |
| InChI Key | AXAXKDMYYJZOKN-UHFFFAOYSA-N |
| MDL Number | MFCD16620911 |
| Molecular Formula | C16H22N2O5 |
| Molecular Weight | 322.3563 |
| SMILES | CC(OC(N1CCC(OC2=CC([N+]([O-])=O)=CC=C2)CC1)=O)(C)C |
| Synonyms | tert-Butyl 4-(3-nitrophenoxy)piperidine-1-carboxylate,
586412-88-6,
SCHEMBL2481879,
AXAXKDMYYJZOKN-UHFFFAOYSA-N,
MFCD16620911,
ZINC60273919,
FT-0739496,
4-(3-nitro-phenoxy)-piperidine-1-carboxylic acid tert-butyl ester,
|
| Complexity | 421 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.361g/mol |
| Monoisotopic Mass | 322.153g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 84.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number