958451-89-3 Purity
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The molecular formula is C14H16BFO2S.
The synonyms are: 958451-93-9, 2-(5-fluorobenzo[b]thiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzo[b]thiophene, 5-Fluorobenzo[B]thiophene-2-boronic acid pinacol ester, 2-(5-FLUORO-1-BENZOTHIOPHEN-2-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE.
The molecular weight is 278.2 g/mol.
The IUPAC name is 2-(5-fluoro-1-benzothiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
The InChI of the compound is InChI=1S/C14H16BFO2S/c1-13(2)14(3,4)18-15(17-13)12-8-9-7-10(16)5-6-11(9)19-12/h5-8H,1-4H3.
The InChIKey of the compound is XNRVFDSPXAGGNH-UHFFFAOYSA-N.
The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(S2)C=CC(=C3)F.
There are 0 hydrogen bond donor atoms in the compound.
There are 4 hydrogen bond acceptor atoms in the compound.
There is 1 rotatable bond in the compound.