36443-80-8 Purity
>98.0%(T)(HPLC)
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The molecular formula is C8H13BF4N2O2.
The synonyms include 503439-30-3 and 1-(2-Ethoxy-2-oxoethyl)-3-methyl-1H-imidazol-3-ium tetrafluoroborate.
The molecular weight is 256.01 g/mol.
The IUPAC name is ethyl 2-(3-methylimidazol-3-ium-1-yl)acetate; tetrafluoroborate.
The InChI is InChI=1S/C8H13N2O2.BF4/c1-3-12-8(11)6-10-5-4-9(2)7-10;2-1(3,4)5/h4-5,7H,3,6H2,1-2H3;/q+1;-1.
The InChIKey is ZVMHXOSQTQKSNW-UHFFFAOYSA-N.
The canonical SMILES is [B-](F)(F)(F)F.CCOC(=O)CN1C=C[N+](=C1)C.
The hydrogen bond donor count is 0.
The hydrogen bond acceptor count is 7.
There are 4 rotatable bonds present.