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64169-89-7 | 1-?Methyl-?4-?(pyridiniomethyl)?-pyridinium diiodide
CAS No: 64169-89-7 Catalog No: AG01EWRN MDL No:MFCD06637709
Product Description
Catalog Number:
AG01EWRN
Chemical Name:
1-?Methyl-?4-?(pyridiniomethyl)?-pyridinium diiodide
CAS Number:
64169-89-7
Molecular Formula:
C12H14I2N2
Molecular Weight:
440.0619
MDL Number:
MFCD06637709
IUPAC Name:
1-methyl-4-(pyridin-1-ium-1-ylmethyl)pyridin-1-ium;diiodide
InChI:
InChI=1S/C12H14N2.2HI/c1-13-9-5-12(6-10-13)11-14-7-3-2-4-8-14;;/h2-10H,11H2,1H3;2*1H/q+2;;/p-2
InChI Key:
ZQFVMFDRBHPZPF-UHFFFAOYSA-L
SMILES:
C[n+]1ccc(cc1)C[n+]1ccccc1.[I-].[I-]
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.925g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.067g/mol
Monoisotopic Mass:
439.925g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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