| CAS Number | 1451391-35-7 |
| Catalog Number | AG00HXDG(AGN-PC-0WP1NS) |
| Chemical Name | 6-(Benzyloxy)-4-methylpyridine-3-boronic acid |
| IUPAC Name | (4-methyl-6-phenylmethoxypyridin-3-yl)boronic acid |
| InChI | InChI=1S/C13H14BNO3/c1-10-7-13(15-8-12(10)14(16)17)18-9-11-5-3-2-4-6-11/h2-8,16-17H,9H2,1H3 |
| InChI Key | WOAURPRIQZGXGA-UHFFFAOYSA-N |
| MDL Number | MFCD18254313 |
| Molecular Formula | C13H14BNO3 |
| Molecular Weight | 243.0662 |
| SMILES | OB(c1cnc(cc1C)OCc1ccccc1)O |
| Synonyms | 1451391-35-7,
2-(Benzyloxy)-4-methylpyridine-5-boronic acid,
6-(Benzyloxy)-4-methylpyridine-3-boronic acid,
MFCD18254313,
AKOS026673459,
ZINC169994886,
Z1250,
Q-7535,
C13H14BNO3,
(6-(benzyloxy)-4-methylpyridin-3-yl)boronic acid,
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| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.069g/mol |
| Monoisotopic Mass | 243.107g/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
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Certificate of Analysis
Lot Number