Dimethyl 5-amino-2,4,6-triiodo-1,3-benzenedicarboxylate


Chemical Name: Dimethyl 5-amino-2,4,6-triiodo-1,3-benzenedicarboxylate
CAS Number: 154921-11-6
Product Number: AG001NHP(AGN-PC-0N3CQ7)
Synonyms:
MDL No:
Molecular Formula: C10H8I3NO4
Molecular Weight: 586.8882

Identification/Properties


Properties
BP:
500.4±50.0 °C(Predicted)
Storage:
Room Temperature;Light sensitive;
Computed Properties
Molecular Weight:
586.89g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
586.759g/mol
Monoisotopic Mass:
586.759g/mol
Topological Polar Surface Area:
78.6A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
311
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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