2-(3-Acetylamino-2,4,6-Triiodophenyl)Valeric Acid
[CAS# 23217-87-0]

Identification

• Name: 2-(3-Acetylamino-2,4,6-Triiodophenyl)Valeric Acid
• Synonyms: 2-(3-Acetamido-2,4,6-Triiodo-Phenyl)Pentanoic Acid; 2-(3-Acetamido-2,4,6-Triiodo-Phenyl)Valeric Acid; 2-(3-Acetamido-2,4,6-Triiodophenyl)Valeric Acid
• Molecular Formula: C₁₃H₁₄I₃NO₃
• Molecular Weight: 612.97
• CAS Registry Number: 23217-87-0
• SMILES: C1=C(C(=C(C(=C1I)C(C(=O)O)CCC)I)NC(C)=O)I
• InChI: 1S/C13H14I3NO3/c1-3-4-7(13(19)20)10-8(14)5-9(15)12(11(10)16)17-6(2)18/h5,7H,3-4H2,1-2H3,(H,17,18)(H,19,20)
• InChIKey: DJFPKDMQDASJED-UHFFFAOYSA-N

Properties

• Density: 2.301g/cm³ (Cal.)
• Boiling point: 593.534°C at 760 mmHg (Cal.)
• Flash point: 312.758°C (Cal.)