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The molecular formula is C6H5BBrFO3.
It was created on August 8, 2012.
The computed IUPAC name is (2-bromo-6-fluoro-3-hydroxyphenyl)boronic acid.
The InChI is InChI=1S/C6H5BBrFO3/c8-6-4(10)2-1-3(9)5(6)7(11)12/h1-2,10-12H.
The InChIKey is UYGMWHVMPASBMZ-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C=CC(=C1Br)O)F)(O)O.
The molecular weight is 234.82 g/mol.
The compound has 3 hydrogen bond donor counts.
The compound has 4 hydrogen bond acceptor counts.
The topological polar surface area is 60.7Ų.
136496-72-5
1310383-25-5
137504-86-0
1451392-84-9
1451392-87-2
1310383-95-9
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