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88992-49-8 | Pyridinium, 1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-, iodide
CAS No: 88992-49-8 Catalog No: AG00466W MDL No:
Product Description
Catalog Number:
AG00466W
Chemical Name:
Pyridinium, 1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-, iodide
CAS Number:
88992-49-8
Molecular Formula:
C13H9F13IN
Molecular Weight:
553.1010
IUPAC Name:
1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)pyridin-1-ium;iodide
InChI:
InChI=1S/C13H9F13N.HI/c14-8(15,4-7-27-5-2-1-3-6-27)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26;/h1-3,5-6H,4,7H2;1H/q+1;/p-1
InChI Key:
HQJOPLRZQARJNB-UHFFFAOYSA-M
SMILES:
FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC[n+]1ccccc1)F.[I-]
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
552.957g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
553.106g/mol
Monoisotopic Mass:
552.957g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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