| CAS Number | 2096341-70-5 |
| Catalog Number | AG01EHO7 |
| Chemical Name | 5-Bromo-2-fluoro-3-trifluoromethylphenylboronic acid |
| IUPAC Name | [5-bromo-2-fluoro-3-(trifluoromethyl)phenyl]boronic acid |
| InChI | InChI=1S/C7H4BBrF4O2/c9-3-1-4(7(11,12)13)6(10)5(2-3)8(14)15/h1-2,14-15H |
| InChI Key | WRIJOUMGMHQBFI-UHFFFAOYSA-N |
| MDL Number | MFCD18311845 |
| Molecular Formula | C7H4BBrF4O2 |
| Molecular Weight | 286.8141 |
| SMILES | B(c1cc(cc(c1F)C(F)(F)F)Br)(O)O |
| Synonyms | 5-BROMO-2-FLUORO-3-TRIFLUOROMETHYLPHENYLBORONIC ACID,
2096341-70-5,
(5-Bromo-2-fluoro-3-(trifluoromethyl)phenyl)boronic acid,
MFCD18311845,
AKOS027342891,
ZINC169934810,
Y2804,
A-4678,
C7H4BBrF4O2,
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| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.815g/mol |
| Monoisotopic Mass | 285.942g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number