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Home > Indoles and Oxindole > 86398-14-3
86398-14-3 | Pyridinium, 5-cyano-2-(1H-indol-3-yl)-1-methyl-, iodide
CAS No: 86398-14-3 Catalog No: AG004O93 MDL No:
Product Description
Catalog Number:
AG004O93
Chemical Name:
Pyridinium, 5-cyano-2-(1H-indol-3-yl)-1-methyl-, iodide
CAS Number:
86398-14-3
Molecular Formula:
C15H12IN3
Molecular Weight:
361.1803
IUPAC Name:
6-(1H-indol-3-yl)-1-methylpyridin-1-ium-3-carbonitrile;iodide
InChI:
InChI=1S/C15H11N3.HI/c1-18-10-11(8-16)6-7-15(18)13-9-17-14-5-3-2-4-12(13)14;/h2-7,9-10H,1H3;1H
InChI Key:
FHDDAFRFQLVOEG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc([n+](c1)C)c1c[nH]c2c1cccc2.[I-]
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.008g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.186g/mol
Monoisotopic Mass:
361.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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