5-(Trifluoromethyl)indole

• Catalog: OFC100846240
• CAS: 100846-24-0
• Category: Fluorinated Indoles
• Synonyms: 1H-Indole, 5-(trifluoromethyl)-
• Purity: 97%
• MDL Number: MFCD03095341

• IUPAC Name: 5-(trifluoromethyl)-1H-indole
• InChI: InChI=1S/C9H6F3N/c10-9(11,12)7-1-2-8-6(5-7)3-4-13-8/h1-5,13H
• InChI Key: LCFDJWUYKUPBJM-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C=CN2)C=C1C(F)(F)F
• EC Number: 634-474-0

• Molecular Formula: C9H6F3N
• Molecular Weight: 185.15
• Storage: Keep in dark place, sealed in dry, room Temperature

• 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