4-({[3-(4-Chloro-3-Nitrophenyl)Acryloyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 530152-72-8]

Identification

• Name: 4-({[3-(4-Chloro-3-Nitrophenyl)Acryloyl]Carbamothioyl}Amino)Benzoic Acid
• Molecular Formula: C₁₇H₁₂ClN₃O₅S
• Molecular Weight: 405.81
• CAS Registry Number: 530152-72-8
• SMILES: O=[N+]([O-])c1cc(ccc1Cl)C=CC(=O)NC(=S)Nc2ccc(C(=O)O)cc2
• InChI: 1S/C17H12ClN3O5S/c18-13-7-1-10(9-14(13)21(25)26)2-8-15(22)20-17(27)19-12-5-3-11(4-6-12)16(23)24/h1-9H,(H,23,24)(H2,19,20,22,27)
• InChIKey: QFEQIPGWCLLFEH-UHFFFAOYSA-N

Properties

• Density: 1.573g/cm³ (Cal.)
• Refractive index: 1.751 (Cal.)