| CAS Number | 874287-98-6 |
| Catalog Number | AG01FNN7(AGN-PC-3H4BG7) |
| Chemical Name | B-[4-[[[(2-chlorophenyl)methyl]amino]carbonyl]phenyl]Boronic acid |
| IUPAC Name | [4-[(2-chlorophenyl)methylcarbamoyl]phenyl]boronic acid |
| InChI | InChI=1S/C14H13BClNO3/c16-13-4-2-1-3-11(13)9-17-14(18)10-5-7-12(8-6-10)15(19)20/h1-8,19-20H,9H2,(H,17,18) |
| InChI Key | YRKLVXMKCMVKAZ-UHFFFAOYSA-N |
| MDL Number | MFCD31648859 |
| Molecular Formula | C14H13BClNO3 |
| Molecular Weight | 289.5219 |
| SMILES | OB(O)C1=CC=C(C(NCC2=CC=CC=C2Cl)=O)C=C1 |
| Synonyms | AS-71862,
(4-{[(2-chlorophenyl)methyl]carbamoyl}phenyl)boronic acid,
874287-98-6,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.067701g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.52g/mol |
| Monoisotopic Mass | 289.067701g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 69.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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