| CAS Number | 1704067-25-3 |
| Catalog Number | AG00AR8S(AGN-PC-0WCRM4) |
| Chemical Name | 1-Piperazinecarboxylic acid, 4-(5-borono-2,3-difluorophenyl)-, 1-(1,1-dimethylethyl) ester |
| IUPAC Name | [3,4-difluoro-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid |
| InChI | InChI=1S/C15H21BF2N2O4/c1-15(2,3)24-14(21)20-6-4-19(5-7-20)12-9-10(16(22)23)8-11(17)13(12)18/h8-9,22-23H,4-7H2,1-3H3 |
| InChI Key | QBIKXHHYRQYSMH-UHFFFAOYSA-N |
| MDL Number | MFCD28384256 |
| Molecular Formula | C15H21BF2N2O4 |
| Molecular Weight | 342.1460 |
| SMILES | O=C(N1CCN(CC1)c1cc(cc(c1F)F)B(O)O)OC(C)(C)C |
| Synonyms | 1704067-25-3,
(3-(4-(tert-butoxycarbonyl)piperazin-1-yl)-4,5-difluorophenyl)boronic acid,
MFCD28384256,
AKOS025286592,
ZINC230537957,
AM88350,
(3-(4-(t-Butoxycarbonyl)piperazin-1-yl)-4,5-difluorophenyl)boronic acid,
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| Complexity | 442 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 342.156g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 342.15g/mol |
| Monoisotopic Mass | 342.156g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 73.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number