2840-44-0 Purity
97%
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Specification
The molecular formula is C7H14ClF6N2P.
The molecular weight is 306.62 g/mol.
The synonyms include 249561-98-6, 291756-76-8, N-(2-Chloro-3-(dimethylamino)allylidene)-N-methylmethanaminium hexafluorophosphate(V), and 2-Chloro-1,3-bis(dimentylamino)trimethinium hexafluorophosphate.
The IUPAC name is [(Z)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium;hexafluorophosphate.
The InChI is InChI=1S/C7H14ClN2.F6P/c1-9(2)5-7(8)6-10(3)4;1-7(2,3,4,5)6/h5-6H,1-4H3;/q+1;-1.
The InChIKey is PIUHAULDXSPPQV-UHFFFAOYSA-N.
The canonical SMILES is CN(C)C=C(C=[N+](C)C)Cl.F[P-](F)(F)(F)(F)F.
The CAS number is 249561-98-6.
The hydrogen bond donor count is 0.
The hydrogen bond acceptor count is 8.