2-(3-Hydroxy-6-(trifluoromethoxy)quinoline-2-carboxamido)acetic acid

• Catalog: OFC189359102
• CAS: 189359-10-2
• Category: Fluorinated Quinolines
• Synonyms: Glycine, N-[[3-hydroxy-6-(trifluoromethoxy)-2-quinolinyl]carbonyl]-
• Purity: 97%

• IUPAC Name: 2-[[3-hydroxy-6-(trifluoromethoxy)quinoline-2-carbonyl]amino]acetic acid
• InChI: InChI=1S/C13H9F3N2O5/c14-13(15,16)23-7-1-2-8-6(3-7)4-9(19)11(18-8)12(22)17-5-10(20)21/h1-4,19H,5H2,(H,17,22)(H,20,21)
• InChI Key: VXZFMTNKQPTCBU-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=NC(=C(C=C2C=C1OC(F)(F)F)O)C(=O)NCC(=O)O

• Molecular Formula: C13H9F3N2O5
• Molecular Weight: 330.22

• XLogP3-AA: 2.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 330.04635588 g/mol
• Monoisotopic Mass: 330.04635588 g/mol
• Topological Polar Surface Area: 109Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 459