2-(3-Acetylamino-2,4,6-triiodophenyl)valeric acid
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2-(3-Acetylamino-2,4,6-triiodophenyl)valeric acid
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CAS No:
23217-87-0
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Formula:
C13H14I3NO3
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Chemical Name:
2-(3-Acetylamino-2,4,6-triiodophenyl)valeric acid
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Synonyms:
BRN 3037689;2-(3-Acetamido-2,4,6-triiodophenyl)valeric acid;Valeric acid, 2-(3-acetamido-2,4,6-triiodophenyl)-;CTK4F1117;DTXSID20945904;LS-161046;2-(3-Acetylamino-2,4,6-triiodophenyl)valeric acid;Benzeneacetic acid,3-(acetylamino)-2,4,6-triiodo-a-propyl-;2-{3-[(1-Hydroxyethylidene)amino]-2,4,6-triiodophenyl}pentanoic acid
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CAS No:
Characteristics
66.4
4
2.1704 (estimate)
Oral-mouse LD50: 4000 mg/kg; intravenous-mouse LD50: 700 mg/kg
Flammable; decomposes by heating to release toxic nitrogen oxides, iodide fumes
Computed Properties
Molecular Weight:612.97
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:612.8108
Monoisotopic Mass:612.8108
Topological Polar Surface Area:66.4
Heavy Atom Count:20
Complexity:367
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)valeric acid
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