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The molecular formula is C8H9BClFO3.
The molecular weight is 218.42 g/mol.
The IUPAC name is (3-chloro-4-ethoxy-2-fluorophenyl)boronic acid.
The InChI is InChI=1S/C8H9BClFO3/c1-2-14-6-4-3-5(9(12)13)8(11)7(6)10/h3-4,12-13H,2H2,1H3.
The InChIKey is BSNGRABEOSVUSC-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C(=C(C=C1)OCC)Cl)F)(O)O.
The CAS number is 909122-50-5.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 4.
Yes, (3-Chloro-4-ethoxy-2-fluorophenyl)boronic acid is canonicalized.
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