6-Bromo-5-fluoro-1H-indole-2-carboxylic acid

• Catalog: OFC1781698983
• CAS: 1781698-98-3
• Category: Fluorinated Indoles
• Purity: 95%

• IUPAC Name: 6-bromo-5-fluoro-1H-indole-2-carboxylic acid
• InChI: InChI=1S/C9H5BrFNO2/c10-5-3-7-4(1-6(5)11)2-8(12-7)9(13)14/h1-3,12H,(H,13,14)
• InChI Key: PBOWIYIMBBRUBR-UHFFFAOYSA-N
• Isomeric SMILES: C1=C2C=C(NC2=CC(=C1F)Br)C(=O)O

• Molecular Formula: C9H5BrFNO2
• Molecular Weight: 258.04
• Storage: Sealed in dry, 2-8 °C

• XLogP3-AA: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 256.94877 g/mol
• Monoisotopic Mass: 256.94877 g/mol
• Topological Polar Surface Area: 53.1Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 251