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76986-86-2 | Pyridinium,1,1'-(1,10-decanediyl)bis[3-azido-, diiodide (9CI)
CAS No: 76986-86-2 Catalog No: AG005RN2 MDL No:
Product Description
Catalog Number:
AG005RN2
Chemical Name:
Pyridinium,1,1'-(1,10-decanediyl)bis[3-azido-, diiodide (9CI)
CAS Number:
76986-86-2
Molecular Formula:
C20H28I2N8
Molecular Weight:
634.2989
IUPAC Name:
3-azido-1-[10-(3-azidopyridin-1-ium-1-yl)decyl]pyridin-1-ium;diiodide
InChI:
InChI=1S/C20H28N8.2HI/c21-25-23-19-11-9-15-27(17-19)13-7-5-3-1-2-4-6-8-14-28-16-10-12-20(18-28)24-26-22;;/h9-12,15-18H,1-8,13-14H2;2*1H/q+2;;/p-2
InChI Key:
OTJIJZHXQANWLC-UHFFFAOYSA-L
SMILES:
[N-]=[N+]=Nc1ccc[n+](c1)CCCCCCCCCC[n+]1cccc(c1)N=[N+]=[N-].[I-].[I-]
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
634.053g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
634.309g/mol
Monoisotopic Mass:
634.053g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
36.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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