CAS
1315476-07-3 Purity
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1315476-07-3 Purity
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Specification
The molecular formula is C6H6BFO3.
The molecular weight is 155.92 g/mol.
The IUPAC name is (5-fluoro-2-hydroxyphenyl)boronic acid.
The InChI is InChI=1S/C6H6BFO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9-11H.
The InChIKey is TWDQSJDFXUMAOI-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C=CC(=C1)F)O)(O)O.
The CAS number is 259209-20-6.
The EC number is 675-643-9.
Yes, it is a canonicalized compound.