| CAS Number | 1704073-49-3 |
| Catalog Number | AG00ARB6(AGN-PC-0WCRLM) |
| Chemical Name | (3-Fluoro-5-(4-methylpiperazin-1-yl)phenyl)boronic acid |
| IUPAC Name | [3-fluoro-5-(4-methylpiperazin-1-yl)phenyl]boronic acid |
| InChI | InChI=1S/C11H16BFN2O2/c1-14-2-4-15(5-3-14)11-7-9(12(16)17)6-10(13)8-11/h6-8,16-17H,2-5H2,1H3 |
| InChI Key | LOIYMTSRYIXULX-UHFFFAOYSA-N |
| MDL Number | MFCD24448996 |
| Molecular Formula | C11H16BFN2O2 |
| Molecular Weight | 238.0663 |
| SMILES | B(O)(O)c1cc(cc(c1)F)N1CCN(CC1)C |
| Synonyms | (3-fluoro-5-(4-methylpiperazin-1-yl)phenyl)boronic acid,
1704073-49-3,
[3-fluoro-5-(4-methylpiperazin-1-yl)phenyl]boronic acid,
MFCD24448996,
AKOS025286762,
ZINC230545012,
AS-55325,
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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 | 238.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.069g/mol |
| Monoisotopic Mass | 238.129g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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