| CAS Number | 2096334-60-8 |
| Catalog Number | AG01EHMX |
| Chemical Name | 3-Chloro-2-(4-methylpiperazino)pyridine-5-boronic acid, pinacol ester |
| IUPAC Name | 1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]-4-methylpiperazine |
| InChI | InChI=1S/C16H25BClN3O2/c1-15(2)16(3,4)23-17(22-15)12-10-13(18)14(19-11-12)21-8-6-20(5)7-9-21/h10-11H,6-9H2,1-5H3 |
| InChI Key | WBQPFRZNRGTRBN-UHFFFAOYSA-N |
| MDL Number | MFCD16996502 |
| Molecular Formula | C16H25BClN3O2 |
| Molecular Weight | 337.6526 |
| SMILES | CN1CCN(CC1)c1ncc(cc1Cl)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 2096334-60-8,
3-Chloro-2-(4-methylpiperazino)pyridine-5-boronic acid, pinacol ester,
1-(3-CHLORO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)-4-METHYLPIPERAZINE,
MFCD16996502,
AKOS027340208,
ZINC169936732,
MB20911,
A-3362,
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| Complexity | 414 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.655g/mol |
| Monoisotopic Mass | 337.173g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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