2-[3-(Acetylamino)-2,4,6-Triiodophenoxy]-2-(p-Tolyl)Acetic Acid
[CAS# 23189-44-8]

Identification

• Name: 2-[3-(Acetylamino)-2,4,6-Triiodophenoxy]-2-(p-Tolyl)Acetic Acid
• Synonyms: 2-(3-Acetamido-2,4,6-Triiodo-Phenoxy)-2-(4-Methylphenyl)Acetic Acid; 2-(3-Acetamido-2,4,6-Triiodo-Phenoxy)-2-(4-Methylphenyl)Ethanoic Acid; Brn 2913441
• Molecular Formula: C₁₇H₁₄I₃NO₄
• Molecular Weight: 677.02
• CAS Registry Number: 23189-44-8
• SMILES: C1=C(C(=C(C(=C1I)OC(C2=CC=C(C=C2)C)C(O)=O)I)NC(C)=O)I
• InChI: 1S/C17H14I3NO4/c1-8-3-5-10(6-4-8)15(17(23)24)25-16-12(19)7-11(18)14(13(16)20)21-9(2)22/h3-7,15H,1-2H3,(H,21,22)(H,23,24)
• InChIKey: JFUOZKRPLNVNTG-UHFFFAOYSA-N

Properties

• Density: 2.245g/cm³ (Cal.)
• Boiling point: 669.549°C at 760 mmHg (Cal.)
• Flash point: 358.73°C (Cal.)