| CAS Number | 2096340-13-3 |
| Catalog Number | AG01EHHJ |
| Chemical Name | 2-Bromo-6-methoxypyridine-4-boronic acid, pinacol ester |
| IUPAC Name | 2-bromo-6-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
| InChI | InChI=1S/C12H17BBrNO3/c1-11(2)12(3,4)18-13(17-11)8-6-9(14)15-10(7-8)16-5/h6-7H,1-5H3 |
| InChI Key | KMRFECRRFKCUDV-UHFFFAOYSA-N |
| MDL Number | MFCD16995251 |
| Molecular Formula | C12H17BBrNO3 |
| Molecular Weight | 313.9833 |
| SMILES | COc1nc(Br)cc(c1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 2-BROMO-6-METHOXYPYRIDINE-4-BORONIC ACID, PINACOL ESTER,
2096340-13-3,
2-BROMO-6-METHOXY-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE,
MFCD16995251,
AKOS027363979,
ZINC169956101,
MB17688,
B-9007,
N/A,
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| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.986g/mol |
| Monoisotopic Mass | 313.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number