950846-26-1 Purity
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The IUPAC name of the compound is [2,6-difluoro-4-(hydroxymethyl)phenyl]boronic acid.
The molecular formula of the compound is C7H7BF2O3.
The molecular weight of the compound is 187.94 g/mol.
The InChI of the compound is InChI=1S/C7H7BF2O3/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2,11-13H,3H2.
The InChIKey of the compound is MJXZDKYAMFZLML-UHFFFAOYSA-N.
The canonical SMILES of the compound is B(C1=C(C=C(C=C1F)CO)F)(O)O.
The compound has 3 hydrogen bond donor count.
The compound has 5 hydrogen bond acceptor count.
The compound has 2 rotatable bond count.
The topological polar surface area of the compound is 60.7Ų.