| CAS Number | 1807447-29-5 |
| Catalog Number | AG00I06T(AGN-PC-0WQWTJ) |
| Chemical Name | tert-Butyl 4-(3-bromo-5-chlorophenyl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(3-bromo-5-chlorophenyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C15H20BrClN2O2/c1-15(2,3)21-14(20)19-6-4-18(5-7-19)13-9-11(16)8-12(17)10-13/h8-10H,4-7H2,1-3H3 |
| InChI Key | ATNUXQUZYMSUJB-UHFFFAOYSA-N |
| MDL Number | MFCD28166382 |
| Molecular Formula | C15H20BrClN2O2 |
| Molecular Weight | 375.6885 |
| SMILES | Clc1cc(Br)cc(c1)N1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | TERT-BUTYL 4-(3-BROMO-5-CHLOROPHENYL)PIPERAZINE-1-CARBOXYLATE,
1807447-29-5,
SCHEMBL19001559,
ZINC216701968,
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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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