[(6-Fluoroquinolin-4-yl)thio]acetic acid

• Catalog: OFC874766468
• CAS: 874766-46-8
• Category: Fluorinated Quinolines
• Synonyms: 4-(CARBOXYMETHYLTHIO)-6-FLUOROQUINOLINE
• MDL Number: MFCD01569401

• IUPAC Name: 2-(6-fluoroquinolin-4-yl)sulfanylacetic acid
• InChI: InChI=1S/C11H8FNO2S/c12-7-1-2-9-8(5-7)10(3-4-13-9)16-6-11(14)15/h1-5H,6H2,(H,14,15)
• InChI Key: CGKOSIAETLFECS-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=NC=CC(=C2C=C1F)SCC(=O)O

• Molecular Formula: C11H8FNO2S
• Molecular Weight: 237.25

• XLogP3-AA: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 237.02597783 g/mol
• Monoisotopic Mass: 237.02597783 g/mol
• Topological Polar Surface Area: 75.5Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 264