3-({[(2,4-Dibromo-6-Methylphenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 461420-90-6]

Identification

• Name: 3-({[(2,4-Dibromo-6-Methylphenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
• Molecular Formula: C₁₇H₁₄Br₂N₂O₄S
• Molecular Weight: 502.18
• CAS Registry Number: 461420-90-6
• SMILES: Brc2cc(Br)cc(c2OCC(=O)NC(=S)Nc1cc(C(=O)O)ccc1)C
• InChI: 1S/C17H14Br2N2O4S/c1-9-5-11(18)7-13(19)15(9)25-8-14(22)21-17(26)20-12-4-2-3-10(6-12)16(23)24/h2-7H,8H2,1H3,(H,23,24)(H2,20,21,22,26)
• InChIKey: RTNQBHCRYJNAII-UHFFFAOYSA-N

Properties

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