| CAS Number | 1190095-08-9 |
| Catalog Number | AG01FPCR(AGN-PC-3H5OMO) |
| Chemical Name | (2-fluoro-5-((p-tolylamino)methyl)phenyl)boronic acid |
| IUPAC Name | [2-fluoro-5-[(4-methylanilino)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C14H15BFNO2/c1-10-2-5-12(6-3-10)17-9-11-4-7-14(16)13(8-11)15(18)19/h2-8,17-19H,9H2,1H3 |
| InChI Key | CEVNDBLSQXIRNX-UHFFFAOYSA-N |
| MDL Number | MFCD23380883 |
| Molecular Formula | C14H15BFNO2 |
| Molecular Weight | 259.0838 |
| SMILES | FC1=C(C=C(C=C1)CNC1=CC=C(C=C1)C)B(O)O |
| Synonyms | Penn Chem-GAM_012,
PSP012,
1190095-08-9,
AS-69264,
[2-fluoro-5-[(4-methylanilino)methyl]phenyl]boronic acid,
(2-fluoro-5-{[(4-methylphenyl)amino]methyl}phenyl)boronic acid,
b-[2-fluoro-5-[[(4-methylphenyl)amino]methyl]phenyl]-boronic acid,
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| Complexity | 272 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.09g/mol |
| Monoisotopic Mass | 259.117987g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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