N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]-2-hydroxy-3,5-diiodobenzamide;sodium


Chemical Name: N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]-2-hydroxy-3,5-diiodobenzamide;sodium
CAS Number: 61438-64-0
Product Number: AG00IAVB(AGN-PC-0HZKO4)
Synonyms:
MDL No:
Molecular Formula: C22H14Cl2I2N2NaO2
Molecular Weight: 686.0635

Identification/Properties


Computed Properties
Molecular Weight:
685.057g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
683.834g/mol
Monoisotopic Mass:
683.834g/mol
Topological Polar Surface Area:
76A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
659
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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