| CAS Number | 1793003-62-9 |
| Catalog Number | AG00HZXU |
| Chemical Name | 2-(3-Methylphenoxy)pyridine-5-boronic acid |
| IUPAC Name | [6-(3-methylphenoxy)pyridin-3-yl]boronic acid |
| InChI | InChI=1S/C12H12BNO3/c1-9-3-2-4-11(7-9)17-12-6-5-10(8-14-12)13(15)16/h2-8,15-16H,1H3 |
| InChI Key | PDBLSVZYYLJCIH-UHFFFAOYSA-N |
| MDL Number | MFCD22375021 |
| Molecular Formula | C12H12BNO3 |
| Molecular Weight | 229.0396 |
| SMILES | C1(=CC(=CC=C1)OC1=CC=C(C=N1)B(O)O)C |
| Synonyms | 2-(3-Methylphenoxy)pyridine-5-boronic acid,
1793003-62-9,
(6-(M-Tolyloxy)pyridin-3-yl)boronic acid,
MFCD22375021,
ZINC169978131,
Y2151,
B-9312,
C12H12BNO3,
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| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.042g/mol |
| Monoisotopic Mass | 229.091g/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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