4-Chloro-3-{[(2-Chloro-5-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 532951-77-2]

Identification

• Name: 4-Chloro-3-{[(2-Chloro-5-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₅H₉Cl₂N₃O₅S
• Molecular Weight: 414.22
• CAS Registry Number: 532951-77-2
• SMILES: Clc2ccc(cc2NC(=S)NC(=O)c1cc([N+]([O-])=O)ccc1Cl)C(=O)O
• InChI: 1S/C15H9Cl2N3O5S/c16-10-4-2-8(20(24)25)6-9(10)13(21)19-15(26)18-12-5-7(14(22)23)1-3-11(12)17/h1-6H,(H,22,23)(H2,18,19,21,26)
• InChIKey: KPYWNKYTGAUNTN-UHFFFAOYSA-N

Properties

• Density: 1.678g/cm³ (Cal.)
• Refractive index: 1.74 (Cal.)