CAS
958451-88-2 Purity
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958451-88-2 Purity
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Specification
The molecular formula is C5H4BF3O2S.
The molecular weight is 195.96 g/mol.
The IUPAC Name is [5-(trifluoromethyl)thiophen-2-yl]boronic acid.
The InChI is InChI=1S/C5H4BF3O2S/c7-5(8,9)3-1-2-4(12-3)6(10)11/h1-2,10-11H.
The InChIKey is NHBZQJOZVBHDAZ-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC=C(S1)C(F)(F)F)(O)O.
The CAS number is 958451-91-7.
The European Community (EC) number is 821-531-1.
The DSSTox Substance ID is DTXSID60669692.
Yes, it is canonicalized according to PubChem.