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The molecular formula is C11H15BFNO3.
The molecular weight is 239.05 g/mol.
The IUPAC name is [5-(tert-butylcarbamoyl)-2-fluorophenyl]boronic acid.
The InChI is InChI=1S/C11H15BFNO3/c1-11(2,3)14-10(15)7-4-5-9(13)8(6-7)12(16)17/h4-6,16-17H,1-3H3,(H,14,15).
The InChIKey is KKSGPXWRHLBCCW-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C=CC(=C1)C(=O)NC(C)(C)C)F)(O)O.
The CAS number is 874289-51-7.
The hydrogen bond donor count is 3.
The hydrogen bond acceptor count is 4.
Yes, the compound is canonicalized.
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