Benzoic acid, 3,5-bis(acetylamino)-2,4,6-triiodo-, monosodium salt


Chemical Name: Benzoic acid, 3,5-bis(acetylamino)-2,4,6-triiodo-, monosodium salt
CAS Number: 737-31-5
Product Number: AG00FA1X(AGN-PC-0U3Q7K)
Synonyms:
MDL No:
Molecular Formula: C11H8I3N2NaO4
Molecular Weight: 635.8954

Identification/Properties


Computed Properties
Molecular Weight:
635.898g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
635.752g/mol
Monoisotopic Mass:
635.752g/mol
Topological Polar Surface Area:
98.3A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
396
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:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H317-H334
Precautionary Statements:
P261-P280-P284-P304+P340-P342+P311
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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