(2S)-2-[(2-Bromoacetyl)Amino]-3-[4-(4-Hydroxy-3-Iodophenoxy)-3,5-Diiodophenyl]Propanoic Acid
[CAS# 76970-94-0]

Identification

• Name: (2S)-2-[(2-Bromoacetyl)Amino]-3-[4-(4-Hydroxy-3-Iodophenoxy)-3,5-Diiodophenyl]Propanoic Acid
• Synonyms: (2S)-2-[(2-Bromoacetyl)Amino]-3-[4-(4-Hydroxy-3-Iodo-Phenoxy)-3,5-Diiodo-Phenyl]Propanoic Acid; (2S)-2-[(2-Bromo-1-Oxoethyl)Amino]-3-[4-(4-Hydroxy-3-Iodophenoxy)-3,5-Diiodophenyl]Propanoic Acid; (2S)-2-[(2-Bromoacetyl)Amino]-3-[4-(4-Hydroxy-3-Iodo-Phenoxy)-3,5-Diiodo-Phenyl]Propionic Acid
• Molecular Formula: C₁₇H₁₃BrI₃NO₅
• Molecular Weight: 771.91
• CAS Registry Number: 76970-94-0
• SMILES: [C@H](C(=O)O)(NC(=O)CBr)CC1=CC(=C(C(=C1)I)OC2=CC=C(C(=C2)I)O)I
• InChI: 1S/C17H13BrI3NO5/c18-7-15(24)22-13(17(25)26)5-8-3-11(20)16(12(21)4-8)27-9-1-2-14(23)10(19)6-9/h1-4,6,13,23H,5,7H2,(H,22,24)(H,25,26)/t13-/m0/s1
• InChIKey: AGUVIBCJWRFUTQ-ZDUSSCGKSA-N

Properties

• Density: 2.404g/cm³ (Cal.)
• Boiling point: 693.486°C at 760 mmHg (Cal.)
• Flash point: 373.207°C (Cal.)