874219-29-1 Purity
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The molecular formula is C13H11BFNO3.
The synonyms include 874219-33-7, (4-Fluoro-3-(phenylcarbamoyl)phenyl)boronic acid, and 4-Fluoro-3-(phenylcarbamoyl)benzeneboronic acid.
The molecular weight is 259.04 g/mol.
It was created on March 14, 2010.
The IUPAC name is [4-fluoro-3-(phenylcarbamoyl)phenyl]boronic acid.
The InChI is InChI=1S/C13H11BFNO3/c15-12-7-6-9(14(18)19)8-11(12)13(17)16-10-4-2-1-3-5-10/h1-8,18-19H,(H,16,17).
The InChIKey is KHFWXFSYCGFPGR-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=C(C=C1)F)C(=O)NC2=CC=CC=C2)(O)O.
The CAS number is 874219-33-7.
Yes, it is canonicalized in PubChem.