516474-01-4 Purity
98% min
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Specification
The molecular formula is C15H29F6N2P.
The molecular weight is 382.37 g/mol.
The IUPAC name is 1-decyl-2,3-dimethylimidazol-3-ium;hexafluorophosphate.
The InChI is InChI=1S/C15H29N2.F6P/c1-4-5-6-7-8-9-10-11-12-17-14-13-16(3)15(17)2;1-7(2,3,4,5)6/h13-14H,4-12H2,1-3H3;/q+1;-1.
The InChIKey is YIQICEMUGZCEHV-UHFFFAOYSA-N.
The canonical SMILES is CCCCCCCCCCN1C=C[N+](=C1C)C.F[P-](F)(F)(F)(F)F.
The hydrogen bond donor count is 0.
The hydrogen bond acceptor count is 7.
The rotatable bond count is 9.
Yes, it is a canonicalized compound.
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