| CAS Number | 874288-27-4 |
| Catalog Number | AG01FPCQ(AGN-PC-3H5ON3) |
| Chemical Name | Boronic acid, B-[3-[[[(2-chlorophenyl)methyl]amino]carbonyl]phenyl]- |
| IUPAC Name | [3-[(2-chlorophenyl)methylcarbamoyl]phenyl]boronic acid |
| InChI | InChI=1S/C14H13BClNO3/c16-13-7-2-1-4-11(13)9-17-14(18)10-5-3-6-12(8-10)15(19)20/h1-8,19-20H,9H2,(H,17,18) |
| InChI Key | QSDMMYAOINICBD-UHFFFAOYSA-N |
| MDL Number | MFCD28167514 |
| Molecular Formula | C14H13BClNO3 |
| Molecular Weight | 289.5219 |
| SMILES | C(=O)(NCc1c(Cl)cccc1)c1cc(B(O)O)ccc1 |
| Synonyms | 874288-27-4,
3-(2-Chlorobenzylcarbamoyl)phenylboronic acid,
BORONIC ACID, B-[3-[[[(2-CHLOROPHENYL)METHYL]AMINO]CARBONYL]PHENYL]-,
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| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.522g/mol |
| Monoisotopic Mass | 289.068g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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