2-(2-Chlorophenyl)-3-(4-fluorobenzoyl)oxirane

• Catalog: OFC497181176
• CAS: 497181-17-6
• Category: Fluorinated Cyclic Ethers
• Synonyms: 2-Chloro-4'-fluorochalcone epoxide
• Purity: 98%
• MDL Number: MFCD02094301

• IUPAC Name: [3-(2-chlorophenyl)oxiran-2-yl]-(4-fluorophenyl)methanone
• InChI: InChI=1S/C15H10ClFO2/c16-12-4-2-1-3-11(12)14-15(19-14)13(18)9-5-7-10(17)8-6-9/h1-8,14-15H
• InChI Key: PXRNXFWVULYKSD-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C(C(=C1)C2C(O2)C(=O)C3=CC=C(C=C3)F)Cl

• Molecular Formula: C15H10ClFO2
• Molecular Weight: 276.69
• Melting Point: 68-70 °C

• XLogP3-AA: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 276.0353354 g/mol
• Monoisotopic Mass: 276.0353354 g/mol
• Topological Polar Surface Area: 29.6Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 341