CAS
874289-40-4 Purity
98%
874289-40-4 Purity
98%
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Specification
The molecular formula is C8H9BFNO4.
The molecular weight is 212.97 g/mol.
The IUPAC name is [2-fluoro-5-(methoxycarbamoyl)phenyl]boronic acid.
The InChI is InChI=1S/C8H9BFNO4/c1-15-11-8(12)5-2-3-7(10)6(4-5)9(13)14/h2-4,13-14H,1H3,(H,11,12).
The InChIKey is BICVNGATAFRLPE-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C=CC(=C1)C(=O)NOC)F)(O)O.
The CAS number is 874289-58-4.
The EC number is 688-425-3.
The hydrogen bond donor count is 3.
The defined bond stereocenter count is 0.