| CAS Number | 2096333-79-6 |
| Catalog Number | AG01EHD3 |
| Chemical Name | 2-Hydroxy-6-trifluoromethylphenylboronic acid |
| IUPAC Name | [2-hydroxy-6-(trifluoromethyl)phenyl]boronic acid |
| InChI | InChI=1S/C7H6BF3O3/c9-7(10,11)4-2-1-3-5(12)6(4)8(13)14/h1-3,12-14H |
| InChI Key | FNBWZLJDEFUGAL-UHFFFAOYSA-N |
| MDL Number | MFCD18397693 |
| Molecular Formula | C7H6BF3O3 |
| Molecular Weight | 205.9269 |
| SMILES | OB(c1c(O)cccc1C(F)(F)F)O |
| Synonyms | 2-Hydroxy-6-trifluoromethylphenylboronic acid,
2096333-79-6,
(2-Hydroxy-6-(trifluoromethyl)phenyl)boronic acid,
MFCD18397693,
ZINC169951739,
Y2362,
B-9540,
C7H6BF3O3,
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| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.927g/mol |
| Monoisotopic Mass | 206.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number