| CAS Number | 1821640-79-2 |
| Catalog Number | AG01DUCV |
| Chemical Name | (3-(isonicotinamido)phenyl)boronic acid |
| IUPAC Name | [3-(pyridine-4-carbonylamino)phenyl]boronic acid |
| InChI | InChI=1S/C12H11BN2O3/c16-12(9-4-6-14-7-5-9)15-11-3-1-2-10(8-11)13(17)18/h1-8,17-18H,(H,15,16) |
| InChI Key | MBHNUTSMGOJZDJ-UHFFFAOYSA-N |
| MDL Number | MFCD31916431 |
| Molecular Formula | C12H11BN2O3 |
| Molecular Weight | 242.0383 |
| SMILES | O=C(NC2=CC(B(O)O)=CC=C2)C1=CC=NC=C1 |
| Synonyms | 1821640-79-2,
(3-(isonicotinamido)phenyl)boronic acid,
AS-55438,
[3-(pyridine-4-amido)phenyl]boronic acid,
3-(4-Pyridylcarbonylamino)phenylboronic acid,
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| Complexity | 283 |
| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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