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110462-45-8 | 1-Methyl-4-(pyridin-2-yl)pyridin-1-ium iodide
CAS No: 110462-45-8 Catalog No: AG01EQQX MDL No:
Product Description
Catalog Number:
AG01EQQX
Chemical Name:
1-Methyl-4-(pyridin-2-yl)pyridin-1-ium iodide
CAS Number:
110462-45-8
Molecular Formula:
C11H11IN2
Molecular Weight:
298.1229
IUPAC Name:
1-methyl-4-pyridin-2-ylpyridin-1-ium;iodide
InChI:
InChI=1S/C11H11N2.HI/c1-13-8-5-10(6-9-13)11-4-2-3-7-12-11;/h2-9H,1H3;1H/q+1;/p-1
InChI Key:
ZTJYADZMXBQYTQ-UHFFFAOYSA-M
SMILES:
C[n+]1ccc(cc1)c1ccccn1.[I-]
UNII:
DNT951W90D
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.997g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.127g/mol
Monoisotopic Mass:
297.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
16.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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