CAS
91790-39-5 Purity
96%
91790-39-5 Purity
96%
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The molecular formula is C7H7BF2O3.
The molecular weight is 187.94 g/mol.
The IUPAC name is [3,5-difluoro-4-(hydroxymethyl)phenyl]boronic acid.
The InChI is InChI=1S/C7H7BF2O3/c9-6-1-4(8(12)13)2-7(10)5(6)3-11/h1-2,11-13H,3H2.
The InChIKey is ZAVFFEDOMNZWQE-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=C(C(=C1)F)CO)F)(O)O.
The CAS number is 917969-79-0.
The European Community (EC) number is 801-890-0.
The DSSTox Substance ID is DTXSID20660509.
The topological polar surface area is 60.7Ų.