| CAS Number | 2121514-91-6 |
| Catalog Number | AG01EHN8 |
| Chemical Name | 5-Chloro-2-methoxypyridine-4-boronic acid pinacol ester |
| IUPAC Name | 5-chloro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
| InChI | InChI=1S/C12H17BClNO3/c1-11(2)12(3,4)18-13(17-11)8-6-10(16-5)15-7-9(8)14/h6-7H,1-5H3 |
| InChI Key | QSPAGXHWLPNPTN-UHFFFAOYSA-N |
| MDL Number | MFCD18712622 |
| Molecular Formula | C12H17BClNO3 |
| Molecular Weight | 269.5323 |
| SMILES | COC1=NC=C(Cl)C(B2OC(C)(C)C(C)(C)O2)=C1 |
| Synonyms | 5-Chloro-2-methoxypyridine-4-boronic acid pinacol ester,
2121514-91-6,
5-Chloro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine,
MFCD18712622,
ZINC170002846,
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 | 269.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.532g/mol |
| Monoisotopic Mass | 269.099g/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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