3-(4-Bromo-2-thienyl)-1-(4-fluorophenyl)prop-2-en-1-one

• Catalog: OFC1082708517
• CAS: 1082708-51-7
• Category: Fluorinated Thiophenes
• Synonyms: (E)-3-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)prop-2-en-1-one
• MDL Number: MFCD00117137

• IUPAC Name: (E)-3-(4-bromothiophen-2-yl)-1-(4-fluorophenyl)prop-2-en-1-one
• InChI: InChI=1S/C13H8BrFOS/c14-10-7-12(17-8-10)5-6-13(16)9-1-3-11(15)4-2-9/h1-8H/b6-5+
• InChI Key: AVNHRWUYKJYYIL-AATRIKPKSA-N
• Isomeric SMILES: C1=CC(=CC=C1C(=O)/C=C/C2=CC(=CS2)Br)F

• Molecular Formula: C13H8BrFOS
• Molecular Weight: 311.17

• XLogP3-AA: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 309.94633 g/mol
• Monoisotopic Mass: 309.94633 g/mol
• Topological Polar Surface Area: 45.3Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 300