1-(6-(Trifluoromethyl)quinolin-4-yl)-1H-indole-3-carboxylic acid

• Catalog: OFC649539037
• CAS: 649539-03-7
• Category: Fluorinated Indoles
• Synonyms: 3-carboxy-1-(6-(trifluoromethyl)quinol-4-yl)-1H-indole
• Purity: 97%

• IUPAC Name: 1-[6-(trifluoromethyl)quinolin-4-yl]indole-3-carboxylic acid
• InChI: InChI=1S/C19H11F3N2O2/c20-19(21,22)11-5-6-15-13(9-11)17(7-8-23-15)24-10-14(18(25)26)12-3-1-2-4-16(12)24/h1-10H,(H,25,26)
• InChI Key: SKPAPORNPXMGRB-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CN2C3=C4C=C(C=CC4=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