| CAS Number | 758697-67-5 |
| Catalog Number | AG00ICOB(AGN-PC-04YQDK) |
| Chemical Name | [2-Fluoro-5-(prop-2-enamido)phenyl]boronic acid |
| IUPAC Name | [2-fluoro-5-(prop-2-enoylamino)phenyl]boronic acid |
| InChI | InChI=1S/C9H9BFNO3/c1-2-9(13)12-6-3-4-8(11)7(5-6)10(14)15/h2-5,14-15H,1H2,(H,12,13) |
| InChI Key | AHJCZDBIRPOOHT-UHFFFAOYSA-N |
| MDL Number | MFCD22571889 |
| Molecular Formula | C9H9BFNO3 |
| Molecular Weight | 208.9821 |
| SMILES | C=CC(=O)Nc1ccc(c(c1)B(O)O)F |
| Synonyms | 758697-67-5,
[2-Fluoro-5-(prop-2-enamido)phenyl]boronic acid,
Boronic acid, [2-fluoro-5-[(1-oxo-2-propenyl)amino]phenyl]-,
SCHEMBL1369735,
ZINC170019524,
(5-acrylamido-2-fluorophenyl)boronic acid,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.983g/mol |
| Monoisotopic Mass | 209.066g/mol |
| Rotatable Bond Count | 3 |
| 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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