| CAS Number | 2096336-32-0 |
| Catalog Number | AG01FNRI(AGN-PC-3H4BHG) |
| Chemical Name | [6-Chloro-5-(trifluoromethyl)pyridin-3-yl]boronic acid |
| IUPAC Name | [6-chloro-5-(trifluoromethyl)pyridin-3-yl]boronic acid |
| InChI | InChI=1S/C6H4BClF3NO2/c8-5-4(6(9,10)11)1-3(2-12-5)7(13)14/h1-2,13-14H |
| InChI Key | GSOLWICWOIAQAW-UHFFFAOYSA-N |
| MDL Number | MFCD18254528 |
| Molecular Formula | C6H4BClF3NO2 |
| Molecular Weight | 225.3607 |
| SMILES | FC(C1=C(Cl)N=CC(B(O)O)=C1)(F)F |
| Synonyms | 2096336-32-0,
2-CHLORO-3-(TRIFLUOROMETHYL)PYRIDINE-5-BORONIC ACID,
(6-Chloro-5-(trifluoromethyl)pyridin-3-yl)boronic acid,
[6-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-3-YL]BORONIC ACID,
MFCD18254528,
ZINC206069716,
AB74588,
PS-13078,
6-chloro-5-(trifluoromethyl)pyridin-3-ylboronic acid,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number