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

• Catalog: OFC62039774
• CAS: 62039-77-4
• Category: Fluorinated Indoles
• Purity: 97%

• IUPAC Name: 3-(2-fluorophenyl)-5-nitro-1H-indole-2-carbonitrile
• InChI: InChI=1S/C15H8FN3O2/c16-12-4-2-1-3-10(12)15-11-7-9(19(20)21)5-6-13(11)18-14(15)8-17/h1-7,18H
• InChI Key: UPUTVUQMVPGGBN-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C(C(=C1)C2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])C#N)F

• Molecular Formula: C15H8FN3O2
• Molecular Weight: 281.25

• XLogP3-AA: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 281.06005467 g/mol
• Monoisotopic Mass: 281.06005467 g/mol
• Topological Polar Surface Area: 85.4Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 458