| CAS Number | 874460-07-8 |
| Catalog Number | AG01DTQS |
| Chemical Name | {4-[(pyridin-4-yl)carbamoyl]phenyl}boronic acid |
| IUPAC Name | [4-(pyridin-4-ylcarbamoyl)phenyl]boronic acid |
| InChI | InChI=1S/C12H11BN2O3/c16-12(15-11-5-7-14-8-6-11)9-1-3-10(4-2-9)13(17)18/h1-8,17-18H,(H,14,15,16) |
| InChI Key | DLAXOQCAZJZZCD-UHFFFAOYSA-N |
| MDL Number | MFCD29066882 |
| Molecular Formula | C12H11BN2O3 |
| Molecular Weight | 242.0383 |
| SMILES | O=C(C1=CC=C(B(O)O)C=C1)NC2=CC=NC=C2 |
| Synonyms | 874460-07-8,
4-(4-Pyridylcarbamoyl)benzeneboronic acid,
MFCD29066882,
AS-55427,
4-(Pyridin-4-ylcarbamoyl)phenylboronic acid,
{4-[(pyridin-4-yl)carbamoyl]phenyl}boronic acid,
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| Complexity | 275 |
| 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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