| CAS Number | 2096334-49-3 |
| Catalog Number | AG01EHOU |
| Chemical Name | 2-Bromo-5-methoxypyridine-4-boronic acid, pinacol ester |
| IUPAC Name | 2-bromo-5-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)8-6-10(14)15-7-9(8)16-5/h6-7H,1-5H3 |
| InChI Key | KHUJCKRTJFOPOE-UHFFFAOYSA-N |
| MDL Number | MFCD22421547 |
| Molecular Formula | C12H17BBrNO3 |
| Molecular Weight | 313.9833 |
| SMILES | COC1=CN=C(Br)C=C1B2OC(C)(C)C(C)(C)O2 |
| Synonyms | 2-Bromo-5-methoxypyridine-4-boronic acid, pinacol ester,
2096334-49-3,
2-Bromo-5-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine,
MFCD22421547,
AKOS027375806,
ZINC169978598,
2-Bromo-5-methoxypyridine-4-boronic acid pinacol ester,
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
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