4,6-Difluoroindole-2-carboxylic acid

• Catalog: OFC247564665
• CAS: 247564-66-5
• Category: Fluorinated Indoles
• Synonyms: 4,6-difluoro-1H-indole-2-carboxylic Acid
• Purity: 97%
• MDL Number: MFCD01863158

• IUPAC Name: 4,6-difluoro-1H-indole-2-carboxylic acid
• InChI: InChI=1S/C9H5F2NO2/c10-4-1-6(11)5-3-8(9(13)14)12-7(5)2-4/h1-3,12H,(H,13,14)
• InChI Key: OCHGGXDZJGAUEU-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C=C(C2=C1NC(=C2)C(=O)O)F)F
• EC Number: 850-883-9

• Molecular Formula: C9H5F2NO2
• Molecular Weight: 197.14

• XLogP3-AA: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 197.02883473 g/mol
• Monoisotopic Mass: 197.02883473 g/mol
• Topological Polar Surface Area: 53.1Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 249