404001-49-6 Purity
≥98%
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Specification
The molecular formula is C10H17F3N2O3S.
The IUPAC name is 1-methyl-3-pentylimidazol-1-ium;trifluoromethanesulfonate.
The InChI is InChI=1S/C9H17N2.CHF3O3S/c1-3-4-5-6-11-8-7-10(2)9-11;2-1(3,4)8(5,6)7/h7-9H,3-6H2,1-2H3;(H,5,6,7)/q+1;/p-1.
The Canonical SMILES is CCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-].
The molecular weight is 302.32 g/mol.
It has 0 hydrogen bond donor counts.
It has 6 hydrogen bond acceptor counts.
It has 4 rotatable bond counts.
The topological polar surface area is 74.4 ?2.
It has 2 covalently-bonded unit counts.