5-Bromo-4-hydroxy-8-(trifluoromethyl)quinoline-3-carboxylic acid

• Catalog: OFC1065093664
• CAS: 1065093-66-4
• Category: Fluorinated Quinolines
• MDL Number: MFCD28010408

• IUPAC Name: 5-bromo-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxylic acid
• InChI: InChI=1S/C11H5BrF3NO3/c12-6-2-1-5(11(13,14)15)8-7(6)9(17)4(3-16-8)10(18)19/h1-3H,(H,16,17)(H,18,19)
• InChI Key: SKBWASFLSZEHBZ-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=C2C(=C1C(F)(F)F)NC=C(C2=O)C(=O)O)Br

• Molecular Formula: C11H5BrF3NO3
• Molecular Weight: 336.06

• XLogP3-AA: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 334.94049 g/mol
• Monoisotopic Mass: 334.94049 g/mol
• Topological Polar Surface Area: 66.4Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 449