CAS
352534-81-7 Purity
97%
352534-81-7 Purity
97%
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Specification
The molecular formula is C6H5BClFO2.
The molecular weight is 174.37 g/mol.
The IUPAC name is (5-chloro-2-fluorophenyl)boronic acid.
The InChI is InChI=1S/C6H5BClFO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H.
The InChIKey is GGTUVWGMCFXUAS-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C=CC(=C1)Cl)F)(O)O.
The CAS number is 352535-83-2.
The EC number is 675-613-5.
Yes, it is a canonicalized compound.