874289-49-3 Purity
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The molecular formula is C9H11BFNO4.
The synonyms are 874289-59-5, N-Methoxy-N-methyl 3-borono-4-fluorobenzamide, 2-Fluoro-5-(N-methoxy-N-methylcarbamoyl)benzeneboronic acid, and more.
The molecular weight is 227.00 g/mol.
The IUPAC name is [2-fluoro-5-[methoxy(methyl)carbamoyl]phenyl]boronic acid.
The InChI is InChI=1S/C9H11BFNO4/c1-12(16-2)9(13)6-3-4-8(11)7(5-6)10(14)15/h3-5,14-15H,1-2H3.
The InChIKey is UIALQZJYMDELNI-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C=CC(=C1)C(=O)N(C)OC)F)(O)O.
The CAS number is 874289-59-5.
Yes, it is canonicalized.