7-(Trifluoromethyl)-1H-indole

• Catalog: OFC172217026
• CAS: 172217-02-6
• Category: Fluorinated Indoles
• Synonyms: 7-(Trifluoromethyl)indole
• Purity: 97%
• MDL Number: MFCD09954769

• IUPAC Name: 7-(trifluoromethyl)-1H-indole
• InChI: InChI=1S/C9H6F3N/c10-9(11,12)7-3-1-2-6-4-5-13-8(6)7/h1-5,13H
• InChI Key: VRAYAPZSEPNOTI-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C(=C1)C(F)(F)F)NC=C2
• EC Number: 865-164-5

• Molecular Formula: C9H6F3N
• Molecular Weight: 185.15
• Storage: 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