3,5-Dibromo-2-{[(4-Chloro-3-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 536983-59-2]

Identification

• Name: 3,5-Dibromo-2-{[(4-Chloro-3-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₅H₈Br₂ClN₃O₅S
• Molecular Weight: 537.57
• CAS Registry Number: 536983-59-2
• SMILES: Brc2cc(Br)cc(c2NC(=S)NC(=O)c1ccc(Cl)c([N+]([O-])=O)c1)C(=O)O
• InChI: 1S/C15H8Br2ClN3O5S/c16-7-4-8(14(23)24)12(9(17)5-7)19-15(27)20-13(22)6-1-2-10(18)11(3-6)21(25)26/h1-5H,(H,23,24)(H2,19,20,22,27)
• InChIKey: WIEILDHTDMYHKG-UHFFFAOYSA-N

Properties

• Density: 2.011g/cm³ (Cal.)
• Refractive index: 1.761 (Cal.)