191162-39-7 Purity
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The molecular formula is C7H7BFNO3.
The molecular weight is 182.95 g/mol.
The IUPAC name is (3-carbamoyl-5-fluorophenyl)boronic acid.
The InChI is InChI=1S/C7H7BFNO3/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,12-13H,(H2,10,11).
The InChIKey is FTMWTTRIUYYHDE-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=CC(=C1)F)C(=O)N)(O)O.
The CAS number is 871332-66-0.
The EC number is 873-878-3.
The DSSTox Substance ID is DTXSID30660237.
Yes, 3-(Aminocarbonyl)-5-fluorophenylboronic acid is considered as a canonicalized compound.