2-(3-Acetylamino-2,4,6-Triiodophenyl)Butyric Acid
[CAS# 23279-53-0]

Identification

• Name: 2-(3-Acetylamino-2,4,6-Triiodophenyl)Butyric Acid
• Synonyms: 2-(3-Acetamido-2,4,6-Triiodo-Phenyl)Butanoic Acid; 2-(3-Acetamido-2,4,6-Triiodo-Phenyl)Butyric Acid; 2-(3-Acetamido-2,4,6-Triiodophenyl)Butyric Acid
• Molecular Formula: C₁₂H₁₂I₃NO₃
• Molecular Weight: 598.95
• CAS Registry Number: 23279-53-0
• SMILES: C1=C(C(=C(C(=C1I)C(C(O)=O)CC)I)NC(C)=O)I
• InChI: 1S/C12H12I3NO3/c1-3-6(12(18)19)9-7(13)4-8(14)11(10(9)15)16-5(2)17/h4,6H,3H2,1-2H3,(H,16,17)(H,18,19)
• InChIKey: DRNUVHPHNAYHHF-UHFFFAOYSA-N

Properties

• Density: 2.396g/cm³ (Cal.)
• Boiling point: 587.692°C at 760 mmHg (Cal.)
• Flash point: 309.225°C (Cal.)