3,5-Dichloro-2-({[3-(3-Nitrophenyl)Acryloyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 535957-34-7]

Identification

• Name: 3,5-Dichloro-2-({[3-(3-Nitrophenyl)Acryloyl]Carbamothioyl}Amino)Benzoic Acid
• Molecular Formula: C₁₇H₁₁Cl₂N₃O₅S
• Molecular Weight: 440.26
• CAS Registry Number: 535957-34-7
• SMILES: Clc2cc(Cl)cc(c2NC(=S)NC(=O)C=Cc1cccc([N+]([O-])=O)c1)C(=O)O
• InChI: 1S/C17H11Cl2N3O5S/c18-10-7-12(16(24)25)15(13(19)8-10)21-17(28)20-14(23)5-4-9-2-1-3-11(6-9)22(26)27/h1-8H,(H,24,25)(H2,20,21,23,28)
• InChIKey: PRQPCAWXDVFROV-UHFFFAOYSA-N

Properties

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