3,5-Dibromo-2-{[(2-Chloro-5-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 535978-08-6]

Identification

• Name: 3,5-Dibromo-2-{[(2-Chloro-5-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₅H₈Br₂ClN₃O₅S
• Molecular Weight: 537.57
• CAS Registry Number: 535978-08-6
• SMILES: Brc2cc(Br)cc(c2NC(=S)NC(=O)c1cc([N+]([O-])=O)ccc1Cl)C(=O)O
• InChI: 1S/C15H8Br2ClN3O5S/c16-6-3-9(14(23)24)12(10(17)4-6)19-15(27)20-13(22)8-5-7(21(25)26)1-2-11(8)18/h1-5H,(H,23,24)(H2,19,20,22,27)
• InChIKey: XFFMWODNQVJMDT-UHFFFAOYSA-N

Properties

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