3-(Trifluoromethyl)-1H-indole

• Catalog: OFC51310555
• CAS: 51310-55-5
• Category: Fluorinated Indoles
• Synonyms: 1H-Indole, 3-(trifluoromethyl)-
• Purity: 95%
• MDL Number: MFCD09032290

• IUPAC Name: 3-(trifluoromethyl)-1H-indole
• InChI: InChI=1S/C9H6F3N/c10-9(11,12)7-5-13-8-4-2-1-3-6(7)8/h1-5,13H
• InChI Key: CLSZROKTPWVQKB-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CN2)C(F)(F)F

• Molecular Formula: C9H6F3N
• Molecular Weight: 185.15
• Storage: Sealed in dry, 2-8 °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