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80576-28-9 | 1,2,4-Triphenylpyridinium iodide
CAS No: 80576-28-9 Catalog No: AG01EXHO MDL No:
Product Description
Catalog Number:
AG01EXHO
Chemical Name:
1,2,4-Triphenylpyridinium iodide
CAS Number:
80576-28-9
Molecular Formula:
C23H18IN
Molecular Weight:
435.3002
IUPAC Name:
1,2,4-triphenylpyridin-1-ium;iodide
InChI:
InChI=1S/C23H18N.HI/c1-4-10-19(11-5-1)21-16-17-24(22-14-8-3-9-15-22)23(18-21)20-12-6-2-7-13-20;/h1-18H;1H/q+1;/p-1
InChI Key:
APYHSPVIZCKZRW-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)c1cc[n+](c(c1)c1ccccc1)c1ccccc1.[I-]
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.048g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
435.308g/mol
Monoisotopic Mass:
435.048g/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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