2-Chloro-5-methylpyridine-3-boronic acid pinacol ester - CAS 1309982-62-4
Catalog: |
BB069380 |
Product Name: |
2-Chloro-5-methylpyridine-3-boronic acid pinacol ester |
CAS: |
1309982-62-4 |
Synonyms: |
2-Chloro-5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-Chloro-5-methylpyridine-3-boronic acid pinacol ester; 2-chloro-5-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
IUPAC Name: | 2-chloro-5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
Description: | 2-Chloro-5-methylpyridine-3-boronic acid pinacol ester |
Molecular Weight: | 253.53 |
Molecular Formula: | C12H17BClNO2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2Cl)C |
InChI: | InChI=1S/C12H17BClNO2/c1-8-6-9(10(14)15-7-8)13-16-11(2,3)12(4,5)17-13/h6-7H,1-5H3 |
InChI Key: | LCANKEBGLJKHTK-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: | 253.1040866 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.1040866 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 31.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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