| CAS Number | 2096339-79-4 |
| Catalog Number | AG01E7QX |
| Chemical Name | [6-fluoro-2-(trifluoromethyl)pyridin-3-yl]boronic acid |
| IUPAC Name | [6-fluoro-2-(trifluoromethyl)pyridin-3-yl]boronic acid |
| InChI | InChI=1S/C6H4BF4NO2/c8-4-2-1-3(7(13)14)5(12-4)6(9,10)11/h1-2,13-14H |
| InChI Key | UTYJWVSYJDGQQN-UHFFFAOYSA-N |
| MDL Number | MFCD16611331 |
| Molecular Formula | C6H4BF4NO2 |
| Molecular Weight | 208.9061 |
| SMILES | OB(C1=C(C(F)(F)F)N=C(F)C=C1)O |
| Synonyms | [6-fluoro-2-(trifluoromethyl)pyridin-3-yl]boronic acid,
6-FLUORO-2-(TRIFLUOROMETHYL)PYRIDINE-3-BORONIC ACID,
MFCD16611331,
ZINC238623265,
2096339-79-4,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.907g/mol |
| Monoisotopic Mass | 209.027g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number