6-(Trifluoromethyl)-1H-indole

• Catalog: OFC13544439
• CAS: 13544-43-9
• Category: Fluorinated Indoles
• Synonyms: 6-(Trifluoromethyl)indole
• Purity: 97%
• MDL Number: MFCD00272316

• IUPAC Name: 6-(trifluoromethyl)-1H-indole
• InChI: InChI=1S/C9H6F3N/c10-9(11,12)7-2-1-6-3-4-13-8(6)5-7/h1-5,13H
• InChI Key: BPYBYPREOVLFED-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=CC2=C1C=CN2)C(F)(F)F
• EC Number: 670-777-4

• Molecular Formula: C9H6F3N
• Molecular Weight: 185.15
• Melting Point: 101-105 °C

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 185.04523368 g/mol
• Monoisotopic Mass: 185.04523368 g/mol
• Topological Polar Surface Area: 15.8Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 190