| CAS Number | 1159825-39-4 |
| Catalog Number | AG00HD69(AGN-PC-0WP1LU) |
| Chemical Name | 1-N-Boc-4-(4-Bromo-2-chlorophenoxy)piperidine |
| IUPAC Name | tert-butyl 4-(4-bromo-2-chlorophenoxy)piperidine-1-carboxylate |
| InChI | InChI=1S/C16H21BrClNO3/c1-16(2,3)22-15(20)19-8-6-12(7-9-19)21-14-5-4-11(17)10-13(14)18/h4-5,10,12H,6-9H2,1-3H3 |
| InChI Key | HVQNGOMNKHVTBV-UHFFFAOYSA-N |
| MDL Number | MFCD12068409 |
| Molecular Formula | C16H21BrClNO3 |
| Molecular Weight | 390.6998 |
| SMILES | BrC1=CC=C(C(=C1)Cl)OC1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 1-N-Boc-4-(4-Bromo-2-chlorophenoxy)piperidine,
1159825-39-4,
tert-butyl 4-(4-bromo-2-chlorophenoxy)piperidine-1-carboxylate,
4-(4-bromo-2-chlorophenoxy)piperidine-1-carboxylic acid tert-butyl ester,
SCHEMBL18318290,
MFCD12068409,
ZINC44137836,
AKOS026670847,
4-(4-bromo-2-chloro-phenoxy)-piperidine-1-carboxylic acid tert-butyl ester,
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| Complexity | 380 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 389.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 390.702g/mol |
| Monoisotopic Mass | 389.039g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
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Certificate of Analysis
Lot Number