| CAS Number | 2096338-38-2 |
| Catalog Number | AG01EHK5 |
| Chemical Name | 3-Bromo-2-fluoro-5-trifluoromethylphenylboronic acid |
| IUPAC Name | [3-bromo-2-fluoro-5-(trifluoromethyl)phenyl]boronic acid |
| InChI | InChI=1S/C7H4BBrF4O2/c9-5-2-3(7(11,12)13)1-4(6(5)10)8(14)15/h1-2,14-15H |
| InChI Key | VWFBSZFKKNFRJJ-UHFFFAOYSA-N |
| MDL Number | MFCD20441821 |
| Molecular Formula | C7H4BBrF4O2 |
| Molecular Weight | 286.8141 |
| SMILES | OB(c1cc(cc(c1F)Br)C(F)(F)F)O |
| Synonyms | 3-Bromo-2-fluoro-5-trifluoromethylphenylboronic acid,
2096338-38-2,
(3-Bromo-2-fluoro-5-(trifluoromethyl)phenyl)boronic acid,
MFCD20441821,
ZINC169955388,
Y2470,
B-8447,
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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number