6-Chloro-1-(3,5-difluorophenyl)-1H-indole-3-carboxylic acid

• Catalog: OFC921195188
• CAS: 921195-18-8
• Category: Fluorinated Indoles
• Purity: 97%

• IUPAC Name: 6-chloro-1-(3,5-difluorophenyl)indole-3-carboxylic acid
• InChI: InChI=1S/C15H8ClF2NO2/c16-8-1-2-12-13(15(20)21)7-19(14(12)3-8)11-5-9(17)4-10(18)6-11/h1-7H,(H,20,21)
• InChI Key: KKRBWHAAOVNVQK-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C=C1Cl)N(C=C2C(=O)O)C3=CC(=CC(=C3)F)F

• Molecular Formula: C15H8ClF2NO2
• Molecular Weight: 307.68

• XLogP3-AA: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 307.0211625 g/mol
• Monoisotopic Mass: 307.0211625 g/mol
• Topological Polar Surface Area: 42.2Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 401