| CAS Number | 1704064-24-3 |
| Catalog Number | AG019ESX(AGN-PC-0WCTJX) |
| Chemical Name | (2-Fluoro-4-((4-methylpiperazin-1-yl)methyl)phenyl)boronic acid |
| IUPAC Name | [2-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C12H18BFN2O2/c1-15-4-6-16(7-5-15)9-10-2-3-11(13(17)18)12(14)8-10/h2-3,8,17-18H,4-7,9H2,1H3 |
| InChI Key | PQCLZDROEBOKIK-UHFFFAOYSA-N |
| MDL Number | MFCD28805544 |
| Molecular Formula | C12H18BFN2O2 |
| Molecular Weight | 252.0929 |
| SMILES | B(C1=C(C=C(C=C1)CN2CCN(CC2)C)F)(O)O |
| Synonyms | (2-fluoro-4-((4-methylpiperazin-1-yl)methyl)phenyl)boronic acid,
1704064-24-3,
MFCD28805544,
AKOS025286258,
ZINC230528771,
AM88413,
CS-0061770,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.145g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.096g/mol |
| Monoisotopic Mass | 252.145g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number