Bis(4-fluoro-3-nitrophenyl)sulfone

• Catalog Number: ACM312301
• Product Name: Bis(4-fluoro-3-nitrophenyl)sulfone
• CAS: 312-30-1
• Category: Heterocyclic Organic Compound
• IUPAC Name: 1-fluoro-4-(4-fluoro-3-nitrophenyl)sulfonyl-2-nitrobenzene
• Molecular Weight: 344.25g/mol
• Molecular Formula: C12H6F2N2O6S
• Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-])[N+](=O)[O-])F
• InChI: InChI=1S/C12H6F2N2O6S/c13-9-3-1-7(5-11(9)15(17)18)23(21,22)8-2-4-10(14)12(6-8)16(19)20/h1-6H
• InChI Key: KHAWDEWNXJIVCJ-UHFFFAOYSA-N
• Melting Point: 193.5 °C
• Complexity: 526
• Covalently-Bonded Unit Count: 1
• EC Number: 206-224-7
• Exact Mass: 343.991463g/mol
• Formal Charge: 0
• H-Bond Acceptor: 8
• H-Bond Donor: 0
• Heavy Atom Count: 23
• Monoisotopic Mass: 343.991463g/mol
• NSC Number: 14153
• Rotatable Bond Count: 2
• XLogP3: 2.6