| CAS Number | 1312922-65-8 |
| Catalog Number | AG01FPHB(AGN-PC-3H5OO6) |
| Chemical Name | (2-fluoro-5-((methyl(phenyl)amino)methyl)phenyl)boronic acid |
| IUPAC Name | [2-fluoro-5-[(N-methylanilino)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C14H15BFNO2/c1-17(12-5-3-2-4-6-12)10-11-7-8-14(16)13(9-11)15(18)19/h2-9,18-19H,10H2,1H3 |
| InChI Key | XNNOIVXBOXYBFW-UHFFFAOYSA-N |
| MDL Number | MFCD16413625 |
| Molecular Formula | C14H15BFNO2 |
| Molecular Weight | 259.0838 |
| SMILES | FC1=C(C=C(C=C1)CN(C1=CC=CC=C1)C)B(O)O |
| Synonyms | AKOS010796369,
1312922-65-8,
AS-70959,
(2-fluoro-5-{[methyl(phenyl)amino]methyl}phenyl)boronic acid,
(2-fluoro-5-([methyl(phenyl)amino]methyl)phenyl)boronic acid,
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| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.117987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.09g/mol |
| Monoisotopic Mass | 259.117987g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number