| CAS Number | 2096341-22-7 |
| Catalog Number | AG01EHHY |
| Chemical Name | 2-(4-Boc-Piperazino)methyl-4-chlorophenylboronic acid, pinacol ester |
| IUPAC Name | tert-butyl 4-[[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine-1-carboxylate |
| InChI | InChI=1S/C22H34BClN2O4/c1-20(2,3)28-19(27)26-12-10-25(11-13-26)15-16-14-17(24)8-9-18(16)23-29-21(4,5)22(6,7)30-23/h8-9,14H,10-13,15H2,1-7H3 |
| InChI Key | VOYFHYAWZVYPIZ-UHFFFAOYSA-N |
| MDL Number | MFCD20491446 |
| Molecular Formula | C22H34BClN2O4 |
| Molecular Weight | 436.7804 |
| SMILES | Clc1ccc(c(c1)CN1CCN(CC1)C(=O)OC(C)(C)C)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 2-(4-BOC-Piperazino)methyl-4-chlorophenylboronic acid, pinacol ester,
2096341-22-7,
MFCD20491446,
ZINC169956013,
B-9744,
|
| Complexity | 601 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 436.23g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 436.784g/mol |
| Monoisotopic Mass | 436.23g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number