| CAS Number | 2096331-22-3 |
| Catalog Number | AG01EHF5 |
| Chemical Name | 2-Chloro-6-(4-methoxybenzyloxy)pyridine-4-boronic acid, pinacol ester |
| IUPAC Name | 2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
| InChI | InChI=1S/C19H23BClNO4/c1-18(2)19(3,4)26-20(25-18)14-10-16(21)22-17(11-14)24-12-13-6-8-15(23-5)9-7-13/h6-11H,12H2,1-5H3 |
| InChI Key | ZDVJYHZQPWGILS-UHFFFAOYSA-N |
| MDL Number | MFCD20441902 |
| Molecular Formula | C19H23BClNO4 |
| Molecular Weight | 375.6542 |
| SMILES | ClC1=NC(=CC(=C1)B1OC(C(O1)(C)C)(C)C)OCC1=CC=C(C=C1)OC |
| Synonyms | 2-Chloro-6-(4-methoxybenzyloxy)pyridine-4-boronic acid, pinacol ester,
2096331-22-3,
2-Chloro-6-((4-methoxybenzyl)oxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine,
MFCD20441902,
ZINC169955910,
B-9669,
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 | 375.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 375.656g/mol |
| Monoisotopic Mass | 375.141g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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