3,5-Dibromo-2-({[(2-Methylphenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 531548-30-8]

Identification

• Name: 3,5-Dibromo-2-({[(2-Methylphenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
• Molecular Formula: C₁₇H₁₄Br₂N₂O₄S
• Molecular Weight: 502.18
• CAS Registry Number: 531548-30-8
• SMILES: Brc2cc(Br)cc(c2NC(=S)NC(=O)COc1ccccc1C)C(=O)O
• InChI: 1S/C17H14Br2N2O4S/c1-9-4-2-3-5-13(9)25-8-14(22)20-17(26)21-15-11(16(23)24)6-10(18)7-12(15)19/h2-7H,8H2,1H3,(H,23,24)(H2,20,21,22,26)
• InChIKey: YYOOKBDWCJKXIW-UHFFFAOYSA-N

Properties

• Density: 1.778g/cm³ (Cal.)
• Refractive index: 1.702 (Cal.)