2-(4-Fluorophenyl)-3-(2-nitrovinyl)-1H-indole

• Catalog: OFC113963705
• CAS: 113963-70-5
• Category: Fluorinated Indoles
• Synonyms: 1H-Indole, 2-(4-fluorophenyl)-3-(2-nitroethenyl)-
• MDL Number: MFCD00206978

• IUPAC Name: 2-(4-fluorophenyl)-3-[(E)-2-nitroethenyl]-1H-indole
• InChI: InChI=1S/C16H11FN2O2/c17-12-7-5-11(6-8-12)16-14(9-10-19(20)21)13-3-1-2-4-15(13)18-16/h1-10,18H/b10-9+
• InChI Key: YWDLOHOHROOWTE-MDZDMXLPSA-N
• Isomeric SMILES: C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)F)/C=C/[N+](=O)[O-]

• Molecular Formula: C16H11FN2O2
• Molecular Weight: 282.27

• XLogP3-AA: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 282.08045576 g/mol
• Monoisotopic Mass: 282.08045576 g/mol
• Topological Polar Surface Area: 61.6Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 402