3,5-Dichloro-2-({[(2-Nitrophenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 532418-54-5]

Identification

• Name: 3,5-Dichloro-2-({[(2-Nitrophenoxy)Acetyl]Carbamothioyl}Amino)Benzoic Acid
• Molecular Formula: C₁₆H₁₁Cl₂N₃O₆S
• Molecular Weight: 444.25
• CAS Registry Number: 532418-54-5
• SMILES: Clc2cc(Cl)cc(c2NC(=S)NC(=O)COc1ccccc1[N+]([O-])=O)C(=O)O
• InChI: 1S/C16H11Cl2N3O6S/c17-8-5-9(15(23)24)14(10(18)6-8)20-16(28)19-13(22)7-27-12-4-2-1-3-11(12)21(25)26/h1-6H,7H2,(H,23,24)(H2,19,20,22,28)
• InChIKey: NCOPYMUCEVGRQA-UHFFFAOYSA-N

Properties

• Density: 1.648g/cm³ (Cal.)
• Refractive index: 1.712 (Cal.)