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32405-50-8 | 1,1-Methylenedipyridinium diiodide
CAS No: 32405-50-8 Catalog No: AG00D0O1 MDL No:MFCD00181607
Product Description
Catalog Number:
AG00D0O1
Chemical Name:
1,1-Methylenedipyridinium diiodide
CAS Number:
32405-50-8
Molecular Formula:
C11H12I2N2
Molecular Weight:
426.0353
MDL Number:
MFCD00181607
IUPAC Name:
1-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium;diiodide
InChI:
InChI=1S/C11H12N2.2HI/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;/h1-10H,11H2;2*1H/q+2;;/p-2
InChI Key:
HKHDOQCAWUXKTG-UHFFFAOYSA-L
SMILES:
c1cc[n+](cc1)C[n+]1ccccc1.[I-].[I-]
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.909g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.04g/mol
Monoisotopic Mass:
425.909g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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