CAS
159191-56-7 Purity
98%
159191-56-7 Purity
98%
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Specification
The molecular formula is C6H5BClFO2.
The molecular weight is 174.37 g/mol.
The IUPAC name is (4-chloro-2-fluorophenyl)boronic acid.
The InChI is InChI=1S/C6H5BClFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H.
The InChIKey is YBNDRTRLXPEWKQ-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C=C(C=C1)Cl)F)(O)O.
The CAS number is 160591-91-3.
The European Community (EC) number is 640-199-7.
The DSSTox Substance ID is DTXSID40400646.
Yes, it is a canonicalized compound.