865606-94-6 Purity
≥98%
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Specification
The molecular formula is C9H15F6N2P.
Some synonyms include 915358-85-9, 1-BUTYL-3-VINYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE, and F71432.
The molecular weight is 296.19 g/mol.
The IUPAC name is 1-butyl-3-ethenylimidazol-1-ium;hexafluorophosphate.
The InChI is InChI=1S/C9H15N2.F6P/c1-3-5-6-11-8-7-10(4-2)9-11;1-7(2,3,4,5)6/h4,7-9H,2-3,5-6H2,1H3;/q+1;-1.
The InChIKey is MKBDPJXUWZOHCB-UHFFFAOYSA-N.
The Canonical SMILES is CCCC[N+]1=CN(C=C1)C=C.F[P-](F)(F)(F)(F)F.
The computed properties include the molecular weight (296.19 g/mol), hydrogen bond donor count (0), hydrogen bond acceptor count (7), rotatable bond count (4), exact mass (296.08770446 g/mol), monoisotopic mass (296.08770446 g/mol), topological polar surface area (8.8?2), heavy atom count (18), formal charge (0), complexity (186), isotope atom count (0), defined atom stereocenter count (0), undefined atom stereocenter count (0), defined bond stereocenter count (0), undefined bond stereocenter count (0), covalently-bonded unit count (2), and whether the compound is canonicalized (Yes).
The molecular weight was computed using PubChem 2.1.
The modification date is 2023-12-30.