4-Chloro-3-({[(2-Nitrophenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 536986-10-4]

Identification

• Name: 4-Chloro-3-({[(2-Nitrophenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
• Molecular Formula: C₁₆H₁₂ClN₃O₆S
• Molecular Weight: 409.80
• CAS Registry Number: 536986-10-4
• SMILES: Clc2ccc(cc2NC(=S)NC(=O)COc1ccccc1[N+]([O-])=O)C(=O)O
• InChI: 1S/C16H12ClN3O6S/c17-10-6-5-9(15(22)23)7-11(10)18-16(27)19-14(21)8-26-13-4-2-1-3-12(13)20(24)25/h1-7H,8H2,(H,22,23)(H2,18,19,21,27)
• InChIKey: NSZBFHPZKAZFEK-UHFFFAOYSA-N

Properties

• Density: 1.591g/cm³ (Cal.)
• Refractive index: 1.71 (Cal.)