4-Fluoro-1H-indole-5-carbonitrile

• Catalog: OFC1240113421
• CAS: 1240113-42-1
• Category: Fluorinated Indoles
• Synonyms: 1H-Indole-5-carbonitrile, 4-fluoro-
• Purity: 98%
• MDL Number: MFCD20687921

• IUPAC Name: 4-fluoro-1H-indole-5-carbonitrile
• InChI: InChI=1S/C9H5FN2/c10-9-6(5-11)1-2-8-7(9)3-4-12-8/h1-4,12H
• InChI Key: MNWGXZUQFYDSGV-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C=CN2)C(=C1C#N)F

• Molecular Formula: C9H5FN2
• Molecular Weight: 160.15
• Storage: Keep in dark place, sealed in dry, room Temperature

• XLogP3-AA: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 160.04367633 g/mol
• Monoisotopic Mass: 160.04367633 g/mol
• Topological Polar Surface Area: 39.6Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 220