4-Chloro-3-{[(4-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 531516-05-9]

Identification

• Name: 4-Chloro-3-{[(4-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Synonyms: 4-chloro-3-({[(4-nitrobenzoyl)amino]carbonothioyl}amino)benzoic acid; 4-chloro-3-({[(4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
• Molecular Formula: C₁₅H₁₀ClN₃O₅S
• Molecular Weight: 379.77
• CAS Registry Number: 531516-05-9
• SMILES: Clc2ccc(cc2NC(=S)NC(=O)c1ccc([N+]([O-])=O)cc1)C(=O)O
• InChI: 1S/C15H10ClN3O5S/c16-11-6-3-9(14(21)22)7-12(11)17-15(25)18-13(20)8-1-4-10(5-2-8)19(23)24/h1-7H,(H,21,22)(H2,17,18,20,25)
• InChIKey: UZHBSGQZSSBTLR-UHFFFAOYSA-N

Properties

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