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Home > Fluorides > 116319-66-5
116319-66-5 | Pyridinium, 4-phenyl-1-(4,4,4-trifluorobutyl)-, iodide (1:1)
CAS No: 116319-66-5 Catalog No: AG000C7S MDL No:
Product Description
Catalog Number:
AG000C7S
Chemical Name:
Pyridinium, 4-phenyl-1-(4,4,4-trifluorobutyl)-, iodide (1:1)
CAS Number:
116319-66-5
Molecular Formula:
C15H15F3IN
Molecular Weight:
393.1860
IUPAC Name:
4-phenyl-1-(4,4,4-trifluorobutyl)pyridin-1-ium;iodide
InChI:
InChI=1S/C15H15F3N.HI/c16-15(17,18)9-4-10-19-11-7-14(8-12-19)13-5-2-1-3-6-13;/h1-3,5-8,11-12H,4,9-10H2;1H/q+1;/p-1
InChI Key:
FTCNZIVQGBPOJL-UHFFFAOYSA-M
SMILES:
FC(CCC[n+]1ccc(cc1)c1ccccc1)(F)F.[I-]
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.02g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.192g/mol
Monoisotopic Mass:
393.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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