1-(8-(Trifluoromethyl)quinolin-4-yl)-1H-indole-3-carboxylic acid

• Catalog: OFC649539093
• CAS: 649539-09-3
• Category: Fluorinated Indoles
• Synonyms: 3-carboxy-1-(8-(trifluoromethyl)quinol-4-yl)-1H-indole
• Purity: 97%

• IUPAC Name: 1-[8-(trifluoromethyl)quinolin-4-yl]indole-3-carboxylic acid
• InChI: InChI=1S/C19H11F3N2O2/c20-19(21,22)14-6-3-5-12-16(8-9-23-17(12)14)24-10-13(18(25)26)11-4-1-2-7-15(11)24/h1-10H,(H,25,26)
• InChI Key: MEUQOWBIDZJBKC-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CN2C3=C4C=CC=C(C4=NC=C3)C(F)(F)F)C(=O)O

• Molecular Formula: C19H11F3N2O2
• Molecular Weight: 356.30

• XLogP3-AA: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 356.07726208 g/mol
• Monoisotopic Mass: 356.07726208 g/mol
• Topological Polar Surface Area: 55.1Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 541