4-[[3-Bromo-4-ethoxy-5-(4-methylbenzoyl)benzoyl]amino]benzoic acid
[CAS# 958295-17-5]

Identification

• Name: 4-[[3-Bromo-4-ethoxy-5-(4-methylbenzoyl)benzoyl]amino]benzoic acid
• Synonyms: AGN 196996
• Molecular Formula: C₂₄H₂₀BrNO₅
• Molecular Weight: 482.32
• CAS Registry Number: 958295-17-5
• SMILES: O=C(O)C1=CC=C(C=C1)NC(=O)C2=CC(Br)=C(OCC)C(=C2)C(=O)C3=CC=C(C=C3)C

Properties

• Solubility: Insoluble (6.3E^-5 g/L g/L) (25 °C), Calc.^*
• pKa: 4.23±0.10 (Most acidic 25 °C), Calc.^*
• Density: 1.453±0.06 g/cm³ (20 °C 760 Torr), Calc.^*
• Boiling point: 619.8±55.0 °C (760 Torr), Calc.^*
• Flash point: 328.6±31.5 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2022 ACD/Labs)