3-(2-Fluorophenyl)-5-methoxy-1H-indole-2-carbonitrile

• Catalog: OFC62039763
• CAS: 62039-76-3
• Category: Fluorinated Indoles
• Purity: 97%

• IUPAC Name: 3-(2-fluorophenyl)-5-methoxy-1H-indole-2-carbonitrile
• InChI: InChI=1S/C16H11FN2O/c1-20-10-6-7-14-12(8-10)16(15(9-18)19-14)11-4-2-3-5-13(11)17/h2-8,19H,1H3
• InChI Key: CKJUHALNJRNCLY-UHFFFAOYSA-N
• Isomeric SMILES: COC1=CC2=C(C=C1)NC(=C2C3=CC=CC=C3F)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: 393