1-Methyl-2-[3-(trifluoromethyl)phenoxy]-1H-indole-3-carboxaldehyde

• Catalog: OFC338416721
• CAS: 338416-72-1
• Category: Fluorinated Indoles
• Synonyms: 1-methyl-2-[3-(trifluoromethyl)phenoxy]indole-3-carbaldehyde
• MDL Number: MFCD01315829

• IUPAC Name: 1-methyl-2-[3-(trifluoromethyl)phenoxy]indole-3-carbaldehyde
• InChI: InChI=1S/C17H12F3NO2/c1-21-15-8-3-2-7-13(15)14(10-22)16(21)23-12-6-4-5-11(9-12)17(18,19)20/h2-10H,1H3
• InChI Key: FZLAHHBDMCATQU-UHFFFAOYSA-N
• Isomeric SMILES: CN1C2=CC=CC=C2C(=C1OC3=CC=CC(=C3)C(F)(F)F)C=O

• Molecular Formula: C17H12F3NO2
• Molecular Weight: 319.28
• Melting Point: 151-153 °C

• XLogP3-AA: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 319.08201311 g/mol
• Monoisotopic Mass: 319.08201311 g/mol
• Topological Polar Surface Area: 31.2Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 429