4-Chloro-3-{[(2-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 532418-17-0]

Identification

• Name: 4-Chloro-3-{[(2-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Synonyms: 4-chloro-3-({[(2-nitrobenzoyl)amino]carbonothioyl}amino)benzoic acid; 4-chloro-3-({[(2-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
• Molecular Formula: C₁₅H₁₀ClN₃O₅S
• Molecular Weight: 379.77
• CAS Registry Number: 532418-17-0
• SMILES: C1=CC=C(C(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl)[N+](=O)[O-]
• InChI: 1S/C15H10ClN3O5S/c16-10-6-5-8(14(21)22)7-11(10)17-15(25)18-13(20)9-3-1-2-4-12(9)19(23)24/h1-7H,(H,21,22)(H2,17,18,20,25)
• InChIKey: LLUGKYFXGKDQNS-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Refractive index: 1.74 (Cal.)