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2-Benzylimidazo[1,5-a]quinolinium hexafluorophosphate

Catalog Number
ACM849797791-2
Product Name
2-Benzylimidazo[1,5-a]quinolinium hexafluorophosphate
Structure
2-Benzylimidazo[1,5-a]quinolinium hexafluorophosphate
CAS
849797-79-1
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Synonyms
2-(Phenylmethyl)-imidazo[1,5-a]quinolinium hexafluorophosphate
IUPAC Name
2-benzylimidazo[1,5-a]quinolin-2-ium;hexafluorophosphate
Molecular Weight
404.29
Molecular Formula
C18H15F6N2P
Canonical SMILES
C1=CC=C(C=C1)C[N+]2=CN3C(=C2)C=CC4=CC=CC=C43.F[P-](F)(F)(F)(F)F;
InChI
VOHJHJRDNQUECO-UHFFFAOYSA-N
InChI Key
InChI=1S/C18H15N2.F6P/c1-2-6-15(7-3-1)12-19-13-17-11-10-16-8-4-5-9-18(16)20(17)14-19;1-7(2,3,4,5)6/h1-11,13-14H,12H2;/q+1;-1
Melting Point
148-150 °C
Purity
98%
Complexity
386
Covalently-Bonded Unit Count
2
Exact Mass
404.088g/mol
H-Bond Acceptor
7
Heavy Atom Count
27
Isomeric SMILES
C1=CC=C(C=C1)C[N+]2=CN3C(=C2)C=CC4=CC=CC=C43.F[P-](F)(F)(F)(F)F
Monoisotopic Mass
404.088g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
8.3A^2
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