5-Bromo-2-{[(4-Fluorobenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 586391-99-3]

Identification

• Name: 5-Bromo-2-{[(4-Fluorobenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Molecular Formula: C₁₅H₁₀BrFN₂O₃S
• Molecular Weight: 397.22
• CAS Registry Number: 586391-99-3
• SMILES: Brc2cc(c(NC(=S)NC(=O)c1ccc(F)cc1)cc2)C(=O)O
• InChI: 1S/C15H10BrFN2O3S/c16-9-3-6-12(11(7-9)14(21)22)18-15(23)19-13(20)8-1-4-10(17)5-2-8/h1-7H,(H,21,22)(H2,18,19,20,23)
• InChIKey: XKUSMBUTMUARBC-UHFFFAOYSA-N

Properties

• Density: 1.716g/cm³ (Cal.)
• Refractive index: 1.715 (Cal.)