| CAS Number | 1609451-12-8 |
| Catalog Number | AG01FL7C(AGN-PC-3H4B2B) |
| Chemical Name | (6-(Piperazin-1-yl)-5-(trifluoromethyl)pyridin-3-yl)boronic acid |
| IUPAC Name | [6-piperazin-1-yl-5-(trifluoromethyl)pyridin-3-yl]boronic acid |
| InChI | InChI=1S/C10H13BF3N3O2/c12-10(13,14)8-5-7(11(18)19)6-16-9(8)17-3-1-15-2-4-17/h5-6,15,18-19H,1-4H2 |
| InChI Key | CQOGPHVHMMYKCE-UHFFFAOYSA-N |
| MDL Number | MFCD31916480 |
| Molecular Formula | C10H13BF3N3O2 |
| Molecular Weight | 275.0353 |
| SMILES | FC(F)(F)C1=CC(B(O)O)=CN=C1N2CCNCC2 |
| Synonyms | 1609451-12-8,
(6-(Piperazin-1-yl)-5-(trifluoromethyl)pyridin-3-yl)boronic acid,
[6-(piperazin-1-yl)-5-(trifluoromethyl)pyridin-3-yl]boronic acid,
AS-55531,
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| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.038g/mol |
| Monoisotopic Mass | 275.105g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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