| CAS Number | 2096336-34-2 |
| Catalog Number | AG01EHBD(AGN-PC-3H45H0) |
| Chemical Name | 2-Chloro-5-Methoxypyridine-4-Boronic Acid Pinacol Ester |
| IUPAC Name | 2-chloro-5-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(14)15-7-9(8)16-5/h6-7H,1-5H3 |
| InChI Key | GEOBECAAHNACLP-UHFFFAOYSA-N |
| MDL Number | MFCD18723303 |
| Molecular Formula | C12H17BClNO3 |
| Molecular Weight | 269.5323 |
| SMILES | COC1=CN=C(Cl)C=C1B2OC(C)(C)C(C)(C)O2 |
| Synonyms | 2-Chloro-5-methoxypyridine-4-boronic acid pinacol ester,
2096336-34-2,
2-Chloro-5-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine,
MFCD18723303,
ZINC169978565,
PS-12235,
B-9204,
N/A,
|
| 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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