| CAS Number | 2096336-50-2 |
| Catalog Number | AG01EHJ8 |
| Chemical Name | 3-Chloro-5-(2-piperidon-1-yl)phenylboronic acid, pinacol ester |
| IUPAC Name | 1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-2-one |
| InChI | InChI=1S/C17H23BClNO3/c1-16(2)17(3,4)23-18(22-16)12-9-13(19)11-14(10-12)20-8-6-5-7-15(20)21/h9-11H,5-8H2,1-4H3 |
| InChI Key | PMZHCKIJORTIHQ-UHFFFAOYSA-N |
| MDL Number | MFCD20441905 |
| Molecular Formula | C17H23BClNO3 |
| Molecular Weight | 335.6334 |
| SMILES | Clc1cc(cc(c1)N1CCCCC1=O)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 3-Chloro-5-(2-piperidon-1-yl)phenylboronic acid, pinacol ester,
2096336-50-2,
1-(3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidin-2-one,
MFCD20441905,
ZINC169955968,
B-9769,
N/A,
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| Complexity | 455 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.635g/mol |
| Monoisotopic Mass | 335.146g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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