2-(3-Acetylamino-2,4,6-triiodophenyl)propionic acid
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2-(3-Acetylamino-2,4,6-triiodophenyl)propionic acid
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CAS No:
23217-81-4
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Formula:
C11H10I3NO3
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Chemical Name:
2-(3-Acetylamino-2,4,6-triiodophenyl)propionic acid
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Synonyms:
BRN 3036904;2-(3-Acetamido-2,4,6-triiodophenyl)propionic acid;Propionic acid, 2-(3-acetamido-2,4,6-triiodophenyl)-;2-(3-acetamido-2,4,6-triiodophenyl)propanoic acid;CTK4F1115;DTXSID40945901;Benzeneacetic acid, 3-(acetylamino)-2,4,6-triiodo-alpha-methyl-;LS-124476;2-(3-Acetylamino-2,4,6-triiodophenyl)propionic acid;Benzeneacetic acid,3-(acetylamino)-2,4,6-triiodo-a-methyl-
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CAS No:
Characteristics
66.4
3.1
2.3434 (estimate)
Oral-mouse LD50: 3800mg/kg; intravenous-mouse LD50: 1200 mg/kg
Flammable; decomposes by heating to release toxic nitrogen oxides, iodide fumes
Computed Properties
Molecular Weight:584.91
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:584.7795
Monoisotopic Mass:584.7795
Topological Polar Surface Area:66.4
Heavy Atom Count:18
Complexity:340
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-(3-Acetylamino-2,4,6-triiodophenyl)propionic acid
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