5,6-Difluoroindole-2-carboxylic acid

• Catalog: OFC169674355
• CAS: 169674-35-5
• Category: Fluorinated Indoles
• Synonyms: 5,6-difluoro-1H-indole-2-carboxylic acid
• Purity: 98%
• MDL Number: MFCD01863160

• IUPAC Name: 5,6-difluoro-1H-indole-2-carboxylic acid
• InChI: InChI=1S/C9H5F2NO2/c10-5-1-4-2-8(9(13)14)12-7(4)3-6(5)11/h1-3,12H,(H,13,14)
• InChI Key: XBVUJSXNSDFADV-UHFFFAOYSA-N
• Isomeric SMILES: C1=C2C=C(NC2=CC(=C1F)F)C(=O)O
• EC Number: 860-786-3

• 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