| CAS Number | 1007210-75-4 |
| Catalog Number | AG0095LQ(AGN-PC-0WNO33) |
| Chemical Name | tert-Butyl 4-(2-(4-bromophenyl)acetyl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-[2-(4-bromophenyl)acetyl]piperazine-1-carboxylate |
| InChI | InChI=1S/C17H23BrN2O3/c1-17(2,3)23-16(22)20-10-8-19(9-11-20)15(21)12-13-4-6-14(18)7-5-13/h4-7H,8-12H2,1-3H3 |
| InChI Key | BPLGDBGOQBEGCU-UHFFFAOYSA-N |
| MDL Number | MFCD18837616 |
| Molecular Formula | C17H23BrN2O3 |
| Molecular Weight | 383.2801 |
| SMILES | BrC1=CC=C(C=C1)CC(=O)N1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 1007210-75-4,
4-(4-BOC-PIPERAZINOCARBONYLMETHYL)-1-BROMOBENZENE,
tert-butyl 4-(2-(4-bromophenyl)acetyl)piperazine-1-carboxylate,
tert-butyl 4-[2-(4-bromophenyl)acetyl]piperazine-1-carboxylate,
SCHEMBL2377690,
BPLGDBGOQBEGCU-UHFFFAOYSA-N,
MFCD18837616,
ZINC74934311,
AM86201,
K-0187,
4-[2-(4-bromo-phenyl)-acetyl]-piperazine-1-carboxylic acid tert-butyl ester,
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| Complexity | 420 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 382.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 383.286g/mol |
| Monoisotopic Mass | 382.089g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number