| CAS Number | 2096337-70-9 |
| Catalog Number | AG01EHID |
| Chemical Name | 2-Isopropoxy-5-methylpyridine-3-boronic acid |
| IUPAC Name | (5-methyl-2-propan-2-yloxypyridin-3-yl)boronic acid |
| InChI | InChI=1S/C9H14BNO3/c1-6(2)14-9-8(10(12)13)4-7(3)5-11-9/h4-6,12-13H,1-3H3 |
| InChI Key | RKCXRNYUFIAPFW-UHFFFAOYSA-N |
| MDL Number | MFCD19237189 |
| Molecular Formula | C9H14BNO3 |
| Molecular Weight | 195.0234 |
| SMILES | CC(Oc1ncc(cc1B(O)O)C)C |
| Synonyms | 2-Isopropoxy-5-methylpyridine-3-boronic acid,
2096337-70-9,
(2-Isopropoxy-5-methylpyridin-3-yl)boronic acid,
MFCD19237189,
ZINC169951742,
SC-54046,
Y2366,
A-2921,
C9H14BNO3,
N/A,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.025g/mol |
| Monoisotopic Mass | 195.107g/mol |
| Rotatable Bond Count | 3 |
| 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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