(E)-3-[3-(4-Fluorophenyl)-1-isopropylindol-2-yl]acrolein

• Catalog: OFC93957507
• CAS: 93957-50-7
• Category: Fluorinated Indoles
• Synonyms: (E)-3-[3-(4-Fluorophenyl)-1-isopropylindol-2-yl]propenal
• Purity: >98.0%(GC)
• MDL Number: MFCD03840863

• IUPAC Name: (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal
• InChI: InChI=1S/C20H18FNO/c1-14(2)22-18-7-4-3-6-17(18)20(19(22)8-5-13-23)15-9-11-16(21)12-10-15/h3-14H,1-2H3/b8-5+
• InChI Key: DVWHSTKQJBIYCK-VMPITWQZSA-N
• Isomeric SMILES: CC(C)N1C2=CC=CC=C2C(=C1/C=C/C=O)C3=CC=C(C=C3)F
• EC Number: 425-370-4

• Molecular Formula: C20H18FNO
• Molecular Weight: 307.37
• Melting Point: 129.0-133.0 °C
• Appearance: Light orange to yellow to green powder to crystal
• Storage: Store under inert gas
• Stability: Air sensitive

• XLogP3-AA: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 307.137242360 g/mol
• Monoisotopic Mass: 307.137242360 g/mol
• Topological Polar Surface Area: 22Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 427

• HS Number: 2933.99.8290