CAS
870521-30-5 Purity
97%
870521-30-5 Purity
97%
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The molecular formula is C7H7BBrFO3.
It was created on January 26, 2010, and last modified on December 2, 2023.
The IUPAC name is (6-bromo-2-fluoro-3-methoxyphenyl)boronic acid.
The InChI is InChI=1S/C7H7BBrFO3/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3,11-12H,1H3.
The InChIKey is NUWSIUDCKHWOJN-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C=CC(=C1F)OC)Br)(O)O.
The CAS number is 871126-17-9.
The molecular weight is 248.84 g/mol.
It has 2 hydrogen bond donor counts.
It has 4 hydrogen bond acceptor counts.