| CAS Number | 874288-19-4 |
| Catalog Number | AG01FNS7(AGN-PC-3H4BI0) |
| Chemical Name | 3-(4-fluorobenzylcarbamoyl)phenylboronic acid |
| IUPAC Name | [3-[(4-fluorophenyl)methylcarbamoyl]phenyl]boronic acid |
| InChI | InChI=1S/C14H13BFNO3/c16-13-6-4-10(5-7-13)9-17-14(18)11-2-1-3-12(8-11)15(19)20/h1-8,19-20H,9H2,(H,17,18) |
| InChI Key | BUQIGZOWJOLSAN-UHFFFAOYSA-N |
| MDL Number | MFCD28167474 |
| Molecular Formula | C14H13BFNO3 |
| Molecular Weight | 273.0673 |
| SMILES | C(=O)(NCc1ccc(cc1)F)c1cc(B(O)O)ccc1 |
| Synonyms | Boronic acid, b-[3-[[[(4-fluorophenyl)methyl]amino]carbonyl]phenyl]-,
874288-19-4,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.07g/mol |
| Monoisotopic Mass | 273.097g/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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