4-Chloro-3-{[(3,5-Dinitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 530146-17-9]

Identification

• Name: 4-Chloro-3-{[(3,5-Dinitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₅H₉ClN₄O₇S
• Molecular Weight: 424.77
• CAS Registry Number: 530146-17-9
• SMILES: Clc2ccc(cc2NC(=S)NC(=O)c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)C(=O)O
• InChI: 1S/C15H9ClN4O7S/c16-11-2-1-7(14(22)23)5-12(11)17-15(28)18-13(21)8-3-9(19(24)25)6-10(4-8)20(26)27/h1-6H,(H,22,23)(H2,17,18,21,28)
• InChIKey: RHGXSCSXCFPGGG-UHFFFAOYSA-N

Properties

• Density: 1.721g/cm³ (Cal.)
• Refractive index: 1.757 (Cal.)