| CAS Number | 874459-93-5 |
| Catalog Number | AG01FNMY(AGN-PC-3H4BG1) |
| Chemical Name | B-[4-[[(4-cyanophenyl)amino]carbonyl]phenyl]boronic acid |
| IUPAC Name | [4-[(4-cyanophenyl)carbamoyl]phenyl]boronic acid |
| InChI | InChI=1S/C14H11BN2O3/c16-9-10-1-7-13(8-2-10)17-14(18)11-3-5-12(6-4-11)15(19)20/h1-8,19-20H,(H,17,18) |
| InChI Key | LYNSIXPFFJSTHC-UHFFFAOYSA-N |
| MDL Number | MFCD31648843 |
| Molecular Formula | C14H11BN2O3 |
| Molecular Weight | 266.0597 |
| SMILES | O=C(C1=CC=C(B(O)O)C=C1)NC2=CC=C(C#N)C=C2 |
| Synonyms | AS-70085,
{4-[(4-cyanophenyl)carbamoyl]phenyl}boronic acid,
874459-93-5,
|
| Complexity | 377 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.086272g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.06g/mol |
| Monoisotopic Mass | 266.086272g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 93.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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