4-Chloro-3-{[(4-Fluorobenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 535979-90-9]

Identification

• Name: 4-Chloro-3-{[(4-Fluorobenzoyl)Carbamothioyl]Amino}Benzoic Acid
• Synonyms: 4-chloro-3-({[(4-fluorobenzoyl)amino]carbonothioyl}amino)benzoic acid; 4-chloro-3-({[(4-fluorophenyl)carbonyl]carbamothioyl}amino)benzoic acid
• Molecular Formula: C₁₅H₁₀ClFN₂O₃S
• Molecular Weight: 352.77
• CAS Registry Number: 535979-90-9
• SMILES: Clc2ccc(cc2NC(=S)NC(=O)c1ccc(F)cc1)C(=O)O
• InChI: 1S/C15H10ClFN2O3S/c16-11-6-3-9(14(21)22)7-12(11)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: RUMLZQNMUNKRHS-UHFFFAOYSA-N

Properties

• Density: 1.552g/cm³ (Cal.)
• Refractive index: 1.703 (Cal.)