| CAS Number | 2096342-15-1 |
| Catalog Number | AG01EHHH |
| Chemical Name | 3-Bromo-2-fluoro-5-(trifluoromethoxy)phenylboronic acid |
| IUPAC Name | [3-bromo-2-fluoro-5-(trifluoromethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C7H4BBrF4O3/c9-5-2-3(16-7(11,12)13)1-4(6(5)10)8(14)15/h1-2,14-15H |
| InChI Key | IPONDPCBQLMVCI-UHFFFAOYSA-N |
| MDL Number | MFCD22205756 |
| Molecular Formula | C7H4BBrF4O3 |
| Molecular Weight | 302.8135 |
| SMILES | OB(c1cc(cc(c1F)Br)OC(F)(F)F)O |
| Synonyms | 3-Bromo-2-fluoro-5-(trifluoromethoxy)phenylboronic acid,
2096342-15-1,
(3-Bromo-2-fluoro-5-(trifluoromethoxy)phenyl)boronic acid,
C7H4BBrF4O3,
MFCD22205756,
AKOS027376332,
ZINC169978086,
Y2469,
B-9753,
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| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.937g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.814g/mol |
| Monoisotopic Mass | 301.937g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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