| CAS Number | 2043397-75-5 |
| Catalog Number | AG01C025 |
| Chemical Name | 3-Bromo-4-methylpyridine-5-boronic acid pinacol ester |
| IUPAC Name | 3-bromo-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
| InChI | InChI=1S/C12H17BBrNO2/c1-8-9(6-15-7-10(8)14)13-16-11(2,3)12(4,5)17-13/h6-7H,1-5H3 |
| InChI Key | QDXKZTBYHOKNFO-UHFFFAOYSA-N |
| MDL Number | MFCD26519033 |
| Molecular Formula | C12H17BBrNO2 |
| Molecular Weight | 297.9839 |
| SMILES | c1(cncc(c1C)B1OC(C(O1)(C)C)(C)C)Br |
| Synonyms | 2043397-75-5,
3-Bromo-4-methylpyridine-5-boronic acid pinacol ester,
3-bromo-4-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine,
3-Bromo-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine,
MFCD26519033,
ZINC307599569,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.987g/mol |
| Monoisotopic Mass | 297.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 31.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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