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69417-67-0 | Iodine(1+), bis(2,4,6-trimethylpyridine)-, perchlorate
CAS No: 69417-67-0 Catalog No: AG005ME1 MDL No:
Product Description
Catalog Number:
AG005ME1
Chemical Name:
Iodine(1+), bis(2,4,6-trimethylpyridine)-, perchlorate
CAS Number:
69417-67-0
Molecular Formula:
C16H22ClIN2O4
Molecular Weight:
468.7143
IUPAC Name:
iodanium;2,3,4-trimethylpyridine;perchlorate
InChI:
InChI=1S/2C8H11N.ClHO4.H2I/c2*1-6-4-5-9-8(3)7(6)2;2-1(3,4)5;/h2*4-5H,1-3H3;(H,2,3,4,5);1H2/q;;;+1/p-1
InChI Key:
XERRPAGNXOWPFF-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Cc1cc(C)nc(c1)C.Cc1cc(C)nc(c1)C.[I+]
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.047g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
470.732g/mol
Monoisotopic Mass:
470.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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