4-{[(2-Chloro-4-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 532950-00-8]

Identification

• Name: 4-{[(2-Chloro-4-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Synonyms: 4-({[(2-chloro-4-nitrobenzoyl)amino]carbonothioyl}amino)benzoic acid; 4-({[(2-chloro-4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoic acid
• Molecular Formula: C₁₅H₁₀ClN₃O₅S
• Molecular Weight: 379.77
• CAS Registry Number: 532950-00-8
• SMILES: O=C(c1ccc(cc1Cl)[N+]([O-])=O)NC(=S)Nc2ccc(C(=O)O)cc2
• InChI: 1S/C15H10ClN3O5S/c16-12-7-10(19(23)24)5-6-11(12)13(20)18-15(25)17-9-3-1-8(2-4-9)14(21)22/h1-7H,(H,21,22)(H2,17,18,20,25)
• InChIKey: RJHZTZRUZJUWOM-UHFFFAOYSA-N

Properties

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