| CAS Number | 874460-12-5 |
| Catalog Number | AG01FPLI(AGN-PC-3H5P0H) |
| Chemical Name | B-[4-[[[(4-fluorophenyl)methyl]amino]carbonyl]phenyl]Boronic acid |
| IUPAC Name | [4-[(4-fluorophenyl)methylcarbamoyl]phenyl]boronic acid |
| InChI | InChI=1S/C14H13BFNO3/c16-13-7-1-10(2-8-13)9-17-14(18)11-3-5-12(6-4-11)15(19)20/h1-8,19-20H,9H2,(H,17,18) |
| InChI Key | GHODZRCPFKAHCA-UHFFFAOYSA-N |
| MDL Number | MFCD31648851 |
| Molecular Formula | C14H13BFNO3 |
| Molecular Weight | 273.0673 |
| SMILES | O=C(C1=CC=C(B(O)O)C=C1)NCC2=CC=C(F)C=C2 |
| Synonyms | AS-71866,
(4-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)boronic acid,
874460-12-5,
|
| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.097252g/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 | 273.097252g/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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