2-{[(3-Bromo-4-Ethoxybenzoyl)Carbamothioyl]Amino}-3,5-Dichlorobenzoic Acid
[CAS# 535946-08-8]

Identification

• Name: 2-{[(3-Bromo-4-Ethoxybenzoyl)Carbamothioyl]Amino}-3,5-Dichlorobenzoic Acid
• Molecular Formula: C₁₇H₁₃BrCl₂N₂O₄S
• Molecular Weight: 492.17
• CAS Registry Number: 535946-08-8
• SMILES: Brc1cc(ccc1OCC)C(=O)NC(=S)Nc2c(C(=O)O)cc(Cl)cc2Cl
• InChI: 1S/C17H13BrCl2N2O4S/c1-2-26-13-4-3-8(5-11(13)18)15(23)22-17(27)21-14-10(16(24)25)6-9(19)7-12(14)20/h3-7H,2H2,1H3,(H,24,25)(H2,21,22,23,27)
• InChIKey: HRGMTHRPUDJLIX-UHFFFAOYSA-N

Properties

• Density: 1.687g/cm³ (Cal.)
• Refractive index: 1.694 (Cal.)