4-Chloro-3-({[3-(3,5-Dibromo-2-Methoxyphenyl)Acryloyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 530131-47-6]

Identification

• Name: 4-Chloro-3-({[3-(3,5-Dibromo-2-Methoxyphenyl)Acryloyl]Carbamothioyl}Amino)Benzoic Acid
• Molecular Formula: C₁₈H₁₃Br₂ClN₂O₄S
• Molecular Weight: 548.63
• CAS Registry Number: 530131-47-6
• SMILES: Brc1cc(Br)cc(c1OC)C=CC(=O)NC(=S)Nc2cc(C(=O)O)ccc2Cl
• InChI: 1S/C18H13Br2ClN2O4S/c1-27-16-9(6-11(19)8-12(16)20)3-5-15(24)23-18(28)22-14-7-10(17(25)26)2-4-13(14)21/h2-8H,1H3,(H,25,26)(H2,22,23,24,28)
• InChIKey: BXJAYZIGPOEYIQ-UHFFFAOYSA-N

Properties

• Density: 1.813g/cm³ (Cal.)
• Refractive index: 1.73 (Cal.)