| CAS Number | 927608-11-5 |
| Catalog Number | AG00IHB8(AGN-PC-0WQVNY) |
| Chemical Name | tert-Butyl 4-(2-chloro-4-nitrobenzoyl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(2-chloro-4-nitrobenzoyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C16H20ClN3O5/c1-16(2,3)25-15(22)19-8-6-18(7-9-19)14(21)12-5-4-11(20(23)24)10-13(12)17/h4-5,10H,6-9H2,1-3H3 |
| InChI Key | TUYKLKQDGWYLOO-UHFFFAOYSA-N |
| MDL Number | MFCD09149312 |
| Molecular Formula | C16H20ClN3O5 |
| Molecular Weight | 369.8001 |
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1ccc(cc1Cl)[N+]([O-])=O |
| Synonyms | tert-butyl 4-(2-chloro-4-nitrobenzoyl)piperazine-1-carboxylate,
927608-11-5,
MFCD09149312,
ZINC22416207,
AKOS002590920,
MCULE-1209647149,
CS-0037290,
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| Complexity | 523 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 369.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 369.802g/mol |
| Monoisotopic Mass | 369.109g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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