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73281-14-8 | Pyridinium, 3-(1H-benzimidazol-2-yl)-1,4-dimethyl-, iodide
CAS No: 73281-14-8 Catalog No: AG005F88 MDL No:
Product Description
Catalog Number:
AG005F88
Chemical Name:
Pyridinium, 3-(1H-benzimidazol-2-yl)-1,4-dimethyl-, iodide
CAS Number:
73281-14-8
Molecular Formula:
C14H14IN3
Molecular Weight:
351.1855
IUPAC Name:
2-(1,4-dimethylpyridin-1-ium-3-yl)-1H-benzimidazole;iodide
InChI:
InChI=1S/C14H14N3.HI/c1-10-7-8-17(2)9-11(10)14-15-12-5-3-4-6-13(12)16-14;/h3-9H,1-2H3,(H,15,16);1H/q+1;/p-1
InChI Key:
PVKLPTOPSGLFRI-UHFFFAOYSA-M
SMILES:
C[n+]1ccc(c(c1)c1nc2c([nH]1)cccc2)C.[I-]
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.023g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.191g/mol
Monoisotopic Mass:
351.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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