| CAS Number | 2096339-80-7 |
| Catalog Number | AG01EHJW |
| Chemical Name | 3-Chloro-2-isobutoxypyridine-4-boronic acid |
| IUPAC Name | [3-chloro-2-(2-methylpropoxy)pyridin-4-yl]boronic acid |
| InChI | InChI=1S/C9H13BClNO3/c1-6(2)5-15-9-8(11)7(10(13)14)3-4-12-9/h3-4,6,13-14H,5H2,1-2H3 |
| InChI Key | FZEGKAKCTANYMX-UHFFFAOYSA-N |
| MDL Number | MFCD18914510 |
| Molecular Formula | C9H13BClNO3 |
| Molecular Weight | 229.4684 |
| SMILES | OB(C1=C(Cl)C(OCC(C)C)=NC=C1)O |
| Synonyms | 3-Chloro-2-isobutoxypyridine-4-boronic acid,
2096339-80-7,
(3-Chloro-2-isobutoxypyridin-4-yl)boronic acid,
MFCD18914510,
ZINC169951669,
Y2517,
A-3018,
C9H13BClNO3,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.467g/mol |
| Monoisotopic Mass | 229.068g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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