| CAS Number | 2096340-00-8 |
| Catalog Number | AG01EHES |
| Chemical Name | 3-Methoxy-5-piperidinophenylboronic acid, pinacol ester |
| IUPAC Name | 1-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine |
| InChI | InChI=1S/C18H28BNO3/c1-17(2)18(3,4)23-19(22-17)14-11-15(13-16(12-14)21-5)20-9-7-6-8-10-20/h11-13H,6-10H2,1-5H3 |
| InChI Key | NHCBWNWRZALISF-UHFFFAOYSA-N |
| MDL Number | MFCD20441904 |
| Molecular Formula | C18H28BNO3 |
| Molecular Weight | 317.2308 |
| SMILES | COc1cc(cc(c1)B1OC(C(O1)(C)C)(C)C)N1CCCCC1 |
| Synonyms | 3-Methoxy-5-piperidinophenylboronic acid, pinacol ester,
2096340-00-8,
1-(3-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine,
MFCD20441904,
AKOS027375089,
ZINC169955965,
B-9768,
N/A,
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| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.216g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.236g/mol |
| Monoisotopic Mass | 317.216g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 30.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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