| CAS Number | 1451393-15-9 |
| Catalog Number | AG00AWV2 |
| Chemical Name | 4-Bromo-2-fluoro-5-(trifluoromethyl)phenylboronic acid |
| IUPAC Name | [4-bromo-2-fluoro-5-(trifluoromethyl)phenyl]boronic acid |
| InChI | InChI=1S/C7H4BBrF4O2/c9-5-2-6(10)4(8(14)15)1-3(5)7(11,12)13/h1-2,14-15H |
| InChI Key | PKNMTVAEKUCNKC-UHFFFAOYSA-N |
| MDL Number | MFCD20441807 |
| Molecular Formula | C7H4BBrF4O2 |
| Molecular Weight | 286.8141 |
| SMILES | c1(c(cc(c(c1)B(O)O)F)Br)C(F)(F)F |
| Synonyms | 1451393-15-9,
4-Bromo-2-fluoro-5-(trifluoromethyl)phenylboronic acid,
4-Bromo-2-fluoro-5(trifluoromethyl)phenylboronic acid,
MFCD20441807,
AKOS026673465,
ZINC169955345,
Y2701,
Z1483,
B-9790,
C7H4BBrF4O2,
(4-bromo-2-fluoro-5-(trifluoromethyl)phenyl)boronic acid,
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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