4-[3-(2-Thienyl)acryloyl]phenyl 4-(trifluoromethyl)benzoate

• Catalog: OFC279691564
• CAS: 279691-56-4
• Category: Fluorinated Thiophenes
• Synonyms: [4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 4-(trifluoromethyl)benzoate
• MDL Number: MFCD00179539

• IUPAC Name: [4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 4-(trifluoromethyl)benzoate
• InChI: InChI=1S/C21H13F3O3S/c22-21(23,24)16-7-3-15(4-8-16)20(26)27-17-9-5-14(6-10-17)19(25)12-11-18-2-1-13-28-18/h1-13H/b12-11+
• InChI Key: TYJBEXCITSBMSZ-VAWYXSNFSA-N
• Isomeric SMILES: C1=CSC(=C1)/C=C/C(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C(F)(F)F

• Molecular Formula: C21H13F3O3S
• Molecular Weight: 402.39

• XLogP3-AA: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 402.05374993 g/mol
• Monoisotopic Mass: 402.05374993 g/mol
• Topological Polar Surface Area: 71.6Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 574