(2S)-2-Amino-3-[4-(3-Bromo-4-Hydroxy-5-Iodophenoxy)-3,5-Diiodophenyl]Propanoic Acid
[CAS# 77667-01-7]

Identification

• Name: (2S)-2-Amino-3-[4-(3-Bromo-4-Hydroxy-5-Iodophenoxy)-3,5-Diiodophenyl]Propanoic Acid
• Synonyms: (2S)-2-Amino-3-[4-(3-Bromo-4-Hydroxy-5-Iodo-Phenoxy)-3,5-Diiodo-Phenyl]Propanoic Acid; (2S)-2-Amino-3-[4-(3-Bromo-4-Hydroxy-5-Iodo-Phenoxy)-3,5-Diiodo-Phenyl]Propionic Acid; Brt3
• Molecular Formula: C₁₅H₁₁BrI₃NO₄
• Molecular Weight: 729.87
• CAS Registry Number: 77667-01-7
• SMILES: [C@H](C(=O)O)(N)CC2=CC(=C(OC1=CC(=C(C(=C1)Br)O)I)C(=C2)I)I
• InChI: 1S/C15H11BrI3NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
• InChIKey: YSUYFSUSYJMLTH-LBPRGKRZSA-N

Properties

• Density: 2.527g/cm³ (Cal.)
• Boiling point: 570.888°C at 760 mmHg (Cal.)
• Flash point: 299.062°C (Cal.)