| CAS Number | 109445-19-4 |
| Catalog Number | AG01DTPU |
| Chemical Name | Boronic acid, B-[3-[(3-pyridinylcarbonyl)amino]phenyl]- |
| IUPAC Name | [3-(pyridine-3-carbonylamino)phenyl]boronic acid |
| InChI | InChI=1S/C12H11BN2O3/c16-12(9-3-2-6-14-8-9)15-11-5-1-4-10(7-11)13(17)18/h1-8,17-18H,(H,15,16) |
| InChI Key | RERGRRRYERIRAC-UHFFFAOYSA-N |
| MDL Number | MFCD22571909 |
| Molecular Formula | C12H11BN2O3 |
| Molecular Weight | 242.0383 |
| SMILES | N(C(=O)c1cccnc1)c1cc(B(O)O)ccc1 |
| Synonyms | 109445-19-4,
(3-(nicotinamido)phenyl)boronic acid,
AS-55413,
[3-(pyridine-3-amido)phenyl]boronic acid,
3-(3-Pyridylcarbonylamino)phenylboronic acid,
3-(nicotinamidophenyl)boronic acid,
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| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.041g/mol |
| Monoisotopic Mass | 242.086g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 82.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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