7-(Trifluoromethyl)-1H-indole-2-carboxylic acid

• Catalog: OFC172216987
• CAS: 172216-98-7
• Category: Fluorinated Indoles
• Purity: 95%
• MDL Number: MFCD02664424

• IUPAC Name: 7-(trifluoromethyl)-1H-indole-2-carboxylic acid
• InChI: InChI=1S/C10H6F3NO2/c11-10(12,13)6-3-1-2-5-4-7(9(15)16)14-8(5)6/h1-4,14H,(H,15,16)
• InChI Key: PISPPXUYIZNQMU-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C(=C1)C(F)(F)F)NC(=C2)C(=O)O
• EC Number: 825-928-0

• Molecular Formula: C10H6F3NO2
• Molecular Weight: 229.16
• Storage: Keep in dark place, inert atmosphere, 2-8 °C

• XLogP3-AA: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 229.03506292 g/mol
• Monoisotopic Mass: 229.03506292 g/mol
• Topological Polar Surface Area: 53.1Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 292