4-Chloro-3-({[3-(4-Chloro-3-Nitrophenyl)Acryloyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 535963-92-9]

Identification

• Name: 4-Chloro-3-({[3-(4-Chloro-3-Nitrophenyl)Acryloyl]Carbamothioyl}Amino)Benzoic Acid
• Molecular Formula: C₁₇H₁₁Cl₂N₃O₅S
• Molecular Weight: 440.26
• CAS Registry Number: 535963-92-9
• SMILES: Clc2ccc(cc2NC(=S)NC(=O)C=Cc1ccc(Cl)c([N+]([O-])=O)c1)C(=O)O
• InChI: 1S/C17H11Cl2N3O5S/c18-11-5-3-10(16(24)25)8-13(11)20-17(28)21-15(23)6-2-9-1-4-12(19)14(7-9)22(26)27/h1-8H,(H,24,25)(H2,20,21,23,28)
• InChIKey: WLLGNMFYAANDFS-UHFFFAOYSA-N

Properties

• Density: 1.631g/cm³ (Cal.)
• Refractive index: 1.751 (Cal.)