1195945-67-5 Purity
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The molecular formula is C8H6BF3O3.
The molecular weight is 217.94 g/mol.
The IUPAC name is [2-formyl-5-(trifluoromethyl)phenyl]boronic acid.
The InChI is InChI=1S/C8H6BF3O3/c10-8(11,12)6-2-1-5(4-13)7(3-6)9(14)15/h1-4,14-15H.
The InChIKey is MUEODBDFMVYZAC-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C=CC(=C1)C(F)(F)F)C=O)(O)O.
The CAS number is 1204580-94-8.
The European Community (EC) number is 886-534-2.
The DSSTox Substance ID is DTXSID30676696.
No, the compound does not have a defined bond stereocenter count.