| CAS Number | 2096341-58-9 |
| Catalog Number | AG01EHCY |
| Chemical Name | 2-Isobutoxy-5-methylpyridine-3-boronic acid |
| IUPAC Name | [5-methyl-2-(2-methylpropoxy)pyridin-3-yl]boronic acid |
| InChI | InChI=1S/C10H16BNO3/c1-7(2)6-15-10-9(11(13)14)4-8(3)5-12-10/h4-5,7,13-14H,6H2,1-3H3 |
| InChI Key | WGQAZCWQKFUSLO-UHFFFAOYSA-N |
| MDL Number | MFCD18783156 |
| Molecular Formula | C10H16BNO3 |
| Molecular Weight | 209.0499 |
| SMILES | CC(COc1ncc(cc1B(O)O)C)C |
| Synonyms | 2-ISOBUTOXY-5-METHYLPYRIDINE-3-BORONIC ACID,
2096341-58-9,
(2-Isobutoxy-5-methylpyridin-3-yl)boronic acid,
MFCD18783156,
ZINC169934976,
Y2364,
A-3256,
C10H16BNO3,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.052g/mol |
| Monoisotopic Mass | 209.122g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number