| CAS Number | 1261214-72-5 |
| Catalog Number | AG01C4QJ |
| Chemical Name | [2-Fluoro-6-(Trifluoromethoxy)Phenyl]Boronic Acid |
| IUPAC Name | [2-fluoro-6-(trifluoromethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C7H5BF4O3/c9-4-2-1-3-5(6(4)8(13)14)15-7(10,11)12/h1-3,13-14H |
| InChI Key | XOSIXJMDIBZKHQ-UHFFFAOYSA-N |
| MDL Number | MFCD22551457 |
| Molecular Formula | C7H5BF4O3 |
| Molecular Weight | 223.9174 |
| SMILES | FC1=C(C(=CC=C1)OC(F)(F)F)B(O)O |
| Synonyms | 1261214-72-5,
[2-fluoro-6-(trifluoromethoxy)phenyl]boronic acid,
ZINC238613376,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.918g/mol |
| Monoisotopic Mass | 224.027g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number