3-Acetamido-5-(Ethylcarbamoyl)-2,4,6-Triiodobenzoic Acid
[CAS# 2281-07-4]

Identification

• Name: 3-Acetamido-5-(Ethylcarbamoyl)-2,4,6-Triiodobenzoic Acid
• Synonyms: 3-(acetylamino)-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid
• Molecular Formula: C₁₂H₁₁I₃N₂O₄
• Molecular Weight: 627.94
• CAS Registry Number: 2281-07-4
• SMILES: Ic1c(c(I)c(c(I)c1NC(=O)C)C(=O)O)C(=O)NCC
• InChI: 1S/C12H11I3N2O4/c1-3-16-11(19)5-7(13)6(12(20)21)9(15)10(8(5)14)17-4(2)18/h3H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
• InChIKey: MEEIUFXPBUXITI-UHFFFAOYSA-N

Properties

• Density: 2.433g/cm³ (Cal.)
• Boiling point: 529.191°C at 760 mmHg (Cal.)
• Flash point: 273.845°C (Cal.)
• Refractive index: 1.743 (Cal.)