3-[1-[(4-Chlorophenyl)Methyl]-5-Fluoro-3-Methylindol-2-Yl]-2,2-Dimethylpropanoic Acid
[CAS# 103253-15-2]

Identification

• Name: 3-[1-[(4-Chlorophenyl)Methyl]-5-Fluoro-3-Methylindol-2-Yl]-2,2-Dimethylpropanoic Acid
• Synonyms: 3-[1-[(4-Chlorophenyl)Methyl]-5-Fluoro-3-Methyl-Indol-2-Yl]-2,2-Dimethyl-Propanoic Acid; 3-[1-[(4-Chlorophenyl)Methyl]-5-Fluoro-3-Methyl-2-Indolyl]-2,2-Dimethylpropanoic Acid; 3-[1-(4-Chlorobenzyl)-5-Fluoro-3-Methyl-Indol-2-Yl]-2,2-Dimethyl-Propionic Acid
• Molecular Formula: C₂₁H₂₁ClFNO₂
• Molecular Weight: 373.85
• CAS Registry Number: 103253-15-2
• SMILES: C1=C2C(=CC=C1F)[N](C(=C2C)CC(C(=O)O)(C)C)CC3=CC=C(Cl)C=C3
• InChI: 1S/C21H21ClFNO2/c1-13-17-10-16(23)8-9-18(17)24(12-14-4-6-15(22)7-5-14)19(13)11-21(2,3)20(25)26/h4-10H,11-12H2,1-3H3,(H,25,26)
• InChIKey: JLPYLHLUHJOPNL-UHFFFAOYSA-N

Properties

• Density: 1.224g/cm³ (Cal.)
• Boiling point: 548.745°C at 760 mmHg (Cal.)
• Flash point: 285.671°C (Cal.)
• solubility: Soluble to 50 mM in ethanol and to 50 mM in DMSO