| CAS Number | 1646842-34-3 |
| Catalog Number | AG00HZ3T(AGN-PC-0WQZU5) |
| Chemical Name | 4-Bromo-5-fluoro-2-methylphenylboronic acid |
| IUPAC Name | (4-bromo-5-fluoro-2-methylphenyl)boronic acid |
| InChI | InChI=1S/C7H7BBrFO2/c1-4-2-6(9)7(10)3-5(4)8(11)12/h2-3,11-12H,1H3 |
| InChI Key | OZAGLHAPIPPEJJ-UHFFFAOYSA-N |
| MDL Number | MFCD31543971 |
| Molecular Formula | C7H7BBrFO2 |
| Molecular Weight | 232.8427 |
| SMILES | c1(c(cc(c(c1)B(O)O)C)Br)F |
| Synonyms | 4-Bromo-5-fluoro-2-methylphenylboronic acid,
1646842-34-3,
MFCD31543971,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.843g/mol |
| Monoisotopic Mass | 231.971g/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
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