2-[(2-Chloroanilino)methylidene]-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione

• Catalog: OFC332055637
• CAS: 332055-63-7
• Category: Fluorinated Thiophenes
• Synonyms: (E)-3-[(2-chlorophenyl)iminomethyl]-1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one
• MDL Number: MFCD09998120

• IUPAC Name: (E)-3-[(2-chlorophenyl)iminomethyl]-1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one
• InChI: InChI=1S/C15H9ClF3NO2S/c16-10-4-1-2-5-11(10)20-8-9(14(22)15(17,18)19)13(21)12-6-3-7-23-12/h1-8,21H/b13-9+,20-8?
• InChI Key: XXBQIIRUNARYCU-XIWNQAKTSA-N
• Isomeric SMILES: C1=CC=C(C(=C1)N=C/C(=C(/C2=CC=CS2)\O)/C(=O)C(F)(F)F)Cl

• Molecular Formula: C15H9ClF3NO2S
• Molecular Weight: 359.75

• XLogP3-AA: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 358.9994619 g/mol
• Monoisotopic Mass: 358.9994619 g/mol
• Topological Polar Surface Area: 77.9Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 507