4-Chloro-3-({[3-(3-Nitrophenyl)Acryloyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 535965-35-6]

Identification

• Name: 4-Chloro-3-({[3-(3-Nitrophenyl)Acryloyl]Carbamothioyl}Amino)Benzoic Acid
• Molecular Formula: C₁₇H₁₂ClN₃O₅S
• Molecular Weight: 405.81
• CAS Registry Number: 535965-35-6
• SMILES: Clc2ccc(cc2NC(=S)NC(=O)C=Cc1cccc([N+]([O-])=O)c1)C(=O)O
• InChI: 1S/C17H12ClN3O5S/c18-13-6-5-11(16(23)24)9-14(13)19-17(27)20-15(22)7-4-10-2-1-3-12(8-10)21(25)26/h1-9H,(H,23,24)(H2,19,20,22,27)
• InChIKey: FVENUUMMAXEEOU-UHFFFAOYSA-N

Properties

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