3,5-Dichloro-2-{[(2-Chloro-5-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 586392-92-9]

Identification

• Name: 3,5-Dichloro-2-{[(2-Chloro-5-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₅H₈Cl₃N₃O₅S
• Molecular Weight: 448.67
• CAS Registry Number: 586392-92-9
• SMILES: Clc2cc(Cl)cc(c2NC(=S)NC(=O)c1cc([N+]([O-])=O)ccc1Cl)C(=O)O
• InChI: 1S/C15H8Cl3N3O5S/c16-6-3-9(14(23)24)12(11(18)4-6)19-15(27)20-13(22)8-5-7(21(25)26)1-2-10(8)17/h1-5H,(H,23,24)(H2,19,20,22,27)
• InChIKey: QSTXNDYVUPCLCS-UHFFFAOYSA-N

Properties

• Density: 1.733g/cm³ (Cal.)
• Refractive index: 1.741 (Cal.)