4-{[(4-Chloro-3-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 535948-50-6]

Identification

• Name: 4-{[(4-Chloro-3-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₅H₁₀ClN₃O₅S
• Molecular Weight: 379.77
• CAS Registry Number: 535948-50-6
• SMILES: O=[N+]([O-])c1cc(ccc1Cl)C(=O)NC(=S)Nc2ccc(C(=O)O)cc2
• InChI: 1S/C15H10ClN3O5S/c16-11-6-3-9(7-12(11)19(23)24)13(20)18-15(25)17-10-4-1-8(2-5-10)14(21)22/h1-7H,(H,21,22)(H2,17,18,20,25)
• InChIKey: WUVBGJSECLWTRQ-UHFFFAOYSA-N

Properties

• Density: 1.616g/cm³ (Cal.)
• Refractive index: 1.74 (Cal.)