6-Fluoro-3-(4-methoxyphenyl)-1H-indole-2-carbonitrile

• Catalog: OFC62039809
• CAS: 62039-80-9
• Category: Fluorinated Indoles
• Purity: 97%

• IUPAC Name: 6-fluoro-3-(4-methoxyphenyl)-1H-indole-2-carbonitrile
• InChI: InChI=1S/C16H11FN2O/c1-20-12-5-2-10(3-6-12)16-13-7-4-11(17)8-14(13)19-15(16)9-18/h2-8,19H,1H3
• InChI Key: WKMFRISMYNVYEH-UHFFFAOYSA-N
• Isomeric SMILES: COC1=CC=C(C=C1)C2=C(NC3=C2C=CC(=C3)F)C#N

• Molecular Formula: C16H11FN2O
• Molecular Weight: 266.27

• XLogP3-AA: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 266.08554114 g/mol
• Monoisotopic Mass: 266.08554114 g/mol
• Topological Polar Surface Area: 48.8Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 385