915358-85-9 Purity
≥98%
If you have any other questions or need other size, please get a quote.
Specification
The molecular formula is C8H11BF4N2.
It was created on February 12, 2015, and last modified on December 30, 2023.
The IUPAC name is 1-ethenyl-3-prop-2-enylimidazol-3-ium;tetrafluoroborate.
The InChI is InChI=1S/C8H11N2.BF4/c1-3-5-10-7-6-9(4-2)8-10;2-1(3,4)5/h3-4,6-8H,1-2,5H2;/q+1;-1.
The InChIKey is DTVAFBUNEWEZLN-UHFFFAOYSA-N.
The canonical SMILES notation is [B-](F)(F)(F)F.C=CC[N+]1=CN(C=C1)C=C.
The molecular weight is 221.99 g/mol.
It has 0 hydrogen bond donor counts.
It has 5 hydrogen bond acceptor counts.
It has 3 rotatable bond counts.