4,5,6,7-Tetrafluoro-1H-indole-3-acetic acid

• Catalog: OFC32996331
• CAS: 32996-33-1
• Category: Fluorinated Indoles
• Synonyms: 2-(4,5,6,7-tetrafluoro-1H-indol-3-yl)acetic acid
• MDL Number: MFCD00203228

• IUPAC Name: 2-(4,5,6,7-tetrafluoro-1H-indol-3-yl)acetic acid
• InChI: InChI=1S/C10H5F4NO2/c11-6-5-3(1-4(16)17)2-15-10(5)9(14)8(13)7(6)12/h2,15H,1H2,(H,16,17)
• InChI Key: ULAKIDXRHVHYMK-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C2=C(N1)C(=C(C(=C2F)F)F)F)CC(=O)O

• Molecular Formula: C10H5F4NO2
• Molecular Weight: 247.15
• Melting Point: 214-28 °C(dec.)

• XLogP3-AA: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 247.02564105 g/mol
• Monoisotopic Mass: 247.02564105 g/mol
• Topological Polar Surface Area: 53.1Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 317