2-(3-Acetylamino-2,4,6-triiodophenyl)butyric acid
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2-(3-Acetylamino-2,4,6-triiodophenyl)butyric acid
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CAS No:
23279-53-0
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Formula:
C12H12I3NO3
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Chemical Name:
2-(3-Acetylamino-2,4,6-triiodophenyl)butyric acid
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Synonyms:
BRN 3037425;2-(3-Acetamido-2,4,6-triiodophenyl)butyric acid;BUTYRIC ACID, 2-(3-ACETAMIDO-2,4,6-TRIIODOPHENYL)-;DTXSID40945966;Benzeneacetic acid, 3-(acetylamino)-alpha-ethyl-2,4,6-triiodo-;LS-47791;2-(3-Acetylamino-2,4,6-triiodophenyl)butyric acid;2-{3-[(1-Hydroxyethylidene)amino]-2,4,6-triiodophenyl}butanoic acid
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CAS No:
Characteristics
66.4
3.4
2.2516 (estimate)
Oral-mouse LD50: 2800mg/kg; intravenous-mouse LD50: 950 mg/kg
Flammable; decomposes by heating to release toxic nitrogen oxides, iodide fumes
Computed Properties
Molecular Weight:598.94
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:598.7951
Monoisotopic Mass:598.7951
Topological Polar Surface Area:66.4
Heavy Atom Count:19
Complexity:353
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)butyric acid
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