2-Bromo-6-methylpyridine-4-boronic acid, pinacol ester - CAS 1321518-06-2
Catalog: |
BB071505 |
Product Name: |
2-Bromo-6-methylpyridine-4-boronic acid, pinacol ester |
CAS: |
1321518-06-2 |
Synonyms: |
2-BROMO-6-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE; 2-BROMO-6-METHYLPYRIDINE-4-BORONIC ACID, PINACOL ESTER |
IUPAC Name: | 2-bromo-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
Description: | 2-Bromo-6-methylpyridine-4-boronic acid, pinacol ester |
Molecular Weight: | 297.98 |
Molecular Formula: | C12H17BBrNO2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC(=C2)Br)C |
InChI: | InChI=1S/C12H17BBrNO2/c1-8-6-9(7-10(14)15-8)13-16-11(2,3)12(4,5)17-13/h6-7H,1-5H3 |
InChI Key: | VUXGPHWZUJGTFK-UHFFFAOYSA-N |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.05357 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.05357 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 31.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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