4-{[(2-Bromo-5-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 531517-33-6]

Identification

• Name: 4-{[(2-Bromo-5-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₅H₁₀BrN₃O₅S
• Molecular Weight: 424.23
• CAS Registry Number: 531517-33-6
• SMILES: O=C(c1cc(ccc1Br)[N+]([O-])=O)NC(=S)Nc2ccc(C(=O)O)cc2
• InChI: 1S/C15H10BrN3O5S/c16-12-6-5-10(19(23)24)7-11(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: URFCKVKITRPIII-UHFFFAOYSA-N

Properties

• Density: 1.774g/cm³ (Cal.)
• Refractive index: 1.751 (Cal.)