| CAS Number | 2246548-35-4 |
| Catalog Number | AG01FRIN(AGN-PC-3H5PN9) |
| Chemical Name | (4-(Nicotinamido)phenyl)boronic acid |
| IUPAC Name | [4-(pyridine-3-carbonylamino)phenyl]boronic acid |
| InChI | InChI=1S/C12H11BN2O3/c16-12(9-2-1-7-14-8-9)15-11-5-3-10(4-6-11)13(17)18/h1-8,17-18H,(H,15,16) |
| InChI Key | PCGJUKGGDXXZBD-UHFFFAOYSA-N |
| MDL Number | MFCD32206221 |
| Molecular Formula | C12H11BN2O3 |
| Molecular Weight | 242.0383 |
| SMILES | OB(C1=CC=C(NC(C2=CN=CC=C2)=O)C=C1)O |
| Synonyms | AS-61670,
[4-(pyridine-3-amido)phenyl]boronic acid,
2246548-35-4,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.086272g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.04g/mol |
| Monoisotopic Mass | 242.086272g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 82.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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