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Home > Fluorides > 401788-99-6
401788-99-6 | 1-Butyl-4-methylpyridinium Hexafluorophosphate
CAS No: 401788-99-6 Catalog No: AG003E6L MDL No:MFCD03095438
Product Description
Catalog Number:
AG003E6L
Chemical Name:
1-Butyl-4-methylpyridinium Hexafluorophosphate
CAS Number:
401788-99-6
Molecular Formula:
C10H16F6NP
Molecular Weight:
295.2049
MDL Number:
MFCD03095438
IUPAC Name:
1-butyl-4-methylpyridin-1-ium;hexafluorophosphate
InChI:
InChI=1S/C10H16N.F6P/c1-3-4-7-11-8-5-10(2)6-9-11;1-7(2,3,4,5)6/h5-6,8-9H,3-4,7H2,1-2H3;/q+1;-1
InChI Key:
XBSZSSGZQFAUPF-UHFFFAOYSA-N
SMILES:
F[P-](F)(F)(F)(F)F.CCCC[n+]1ccc(cc1)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.092g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.209g/mol
Monoisotopic Mass:
295.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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