| CAS Number | 1429891-40-6 |
| Catalog Number | AG00HWRL(AGN-PC-0WQWTG) |
| Chemical Name | tert-Butyl 4-(4-bromo-2-chlorophenyl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(4-bromo-2-chlorophenyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C15H20BrClN2O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)13-5-4-11(16)10-12(13)17/h4-5,10H,6-9H2,1-3H3 |
| InChI Key | PGLRHVBPMNZNJG-UHFFFAOYSA-N |
| MDL Number | MFCD25973037 |
| Molecular Formula | C15H20BrClN2O2 |
| Molecular Weight | 375.6885 |
| SMILES | Brc1ccc(c(c1)Cl)N1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | tert-butyl 4-(4-bromo-2-chlorophenyl)piperazine-1-carboxylate,
1429891-40-6,
SCHEMBL14852526,
ZINC143346118,
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| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 374.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 375.691g/mol |
| Monoisotopic Mass | 374.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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