3,5-Dibromo-2-{[(3-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 530127-30-1]

Identification

• Name: 3,5-Dibromo-2-{[(3-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₅H₉Br₂N₃O₅S
• Molecular Weight: 503.12
• CAS Registry Number: 530127-30-1
• SMILES: Brc2cc(Br)cc(c2NC(=S)NC(=O)c1cccc([N+]([O-])=O)c1)C(=O)O
• InChI: 1S/C15H9Br2N3O5S/c16-8-5-10(14(22)23)12(11(17)6-8)18-15(26)19-13(21)7-2-1-3-9(4-7)20(24)25/h1-6H,(H,22,23)(H2,18,19,21,26)
• InChIKey: JSLXNCXVGKWVAB-UHFFFAOYSA-N

Properties

• Density: 1.97g/cm³ (Cal.)
• Refractive index: 1.761 (Cal.)