175883-61-1 Purity
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The molecular formula is C13H12BFO3.
The molecular weight is 246.04 g/mol.
The IUPAC name is (5-fluoro-2-phenylmethoxyphenyl)boronic acid.
The InChI is InChI=1S/C13H12BFO3/c15-11-6-7-13(12(8-11)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2.
The InChIKey is ULIJNMCAPASXHA-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C=CC(=C1)F)OCC2=CC=CC=C2)(O)O.
The CAS number is 779331-47-4.
The EC number is 676-857-5.
The DSSTox Substance ID is DTXSID60382197.
Yes, it is a canonicalized compound.