| CAS Number | 2096339-93-2 |
| Catalog Number | AG01EHNB |
| Chemical Name | 5-Chloro-2,3-dimethoxypyridine-4-boronic acid |
| IUPAC Name | (5-chloro-2,3-dimethoxypyridin-4-yl)boronic acid |
| InChI | InChI=1S/C7H9BClNO4/c1-13-6-5(8(11)12)4(9)3-10-7(6)14-2/h3,11-12H,1-2H3 |
| InChI Key | ULFBXDQPYQISEH-UHFFFAOYSA-N |
| MDL Number | MFCD20231439 |
| Molecular Formula | C7H9BClNO4 |
| Molecular Weight | 217.4147 |
| SMILES | OB(C1=C(OC)C(OC)=NC=C1Cl)O |
| Synonyms | 5-chloro-2,3-dimethoxypyridine-4-boronic acid,
2096339-93-2,
(5-chloro-2,3-dimethoxypyridin-4-yl)boronic acid,
MFCD20231439,
AKOS027341636,
ZINC169955250,
Y2824,
B-9750,
C7H9BClNO4,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.412g/mol |
| Monoisotopic Mass | 217.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number