2-(4-Fluorobenzoyl)-3-(4-methoxyphenyl)oxirane

• Catalog: OFC497181187
• CAS: 497181-18-7
• Category: Fluorinated Cyclic Ethers
• Synonyms: 4-Methoxy-4'-fluorochalcone epoxide
• Purity: 98%
• MDL Number: MFCD02094302

• IUPAC Name: (4-fluorophenyl)-[3-(4-methoxyphenyl)oxiran-2-yl]methanone
• InChI: InChI=1S/C16H13FO3/c1-19-13-8-4-11(5-9-13)15-16(20-15)14(18)10-2-6-12(17)7-3-10/h2-9,15-16H,1H3
• InChI Key: UNNQMMDGVRPAJD-UHFFFAOYSA-N
• Isomeric SMILES: COC1=CC=C(C=C1)C2C(O2)C(=O)C3=CC=C(C=C3)F

• Molecular Formula: C16H13FO3
• Molecular Weight: 272.27
• Melting Point: 88-89 °C

• XLogP3-AA: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 272.08487243 g/mol
• Monoisotopic Mass: 272.08487243 g/mol
• Topological Polar Surface Area: 38.8Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 344