| CAS Number | 2096339-76-1 |
| Catalog Number | AG01DTFO |
| Chemical Name | (6-Chloro-2-(trifluoromethyl)pyridin-3-yl)boronic acid |
| IUPAC Name | [6-chloro-2-(trifluoromethyl)pyridin-3-yl]boronic acid |
| InChI | InChI=1S/C6H4BClF3NO2/c8-4-2-1-3(7(13)14)5(12-4)6(9,10)11/h1-2,13-14H |
| InChI Key | OLRXJTUODFYILY-UHFFFAOYSA-N |
| MDL Number | MFCD16610727 |
| Molecular Formula | C6H4BClF3NO2 |
| Molecular Weight | 225.3607 |
| SMILES | FC(C1=NC(Cl)=CC=C1B(O)O)(F)F |
| Synonyms | 2096339-76-1,
6-CHLORO-2-(TRIFLUOROMETHYL)PYRIDINE-3-BORONIC ACID,
(6-chloro-2-(trifluoromethyl)pyridin-3-yl)boronic acid,
[6-chloro-2-(trifluoromethyl)pyridin-3-yl]boronic acid,
MFCD16610727,
AKOS017344806,
ZINC170013481,
AS-55409,
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.358g/mol |
| Monoisotopic Mass | 224.998g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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