2-Chloro-2,2-difluoro-1-phenylethanone

• Catalog: OFC384678-1
• CAS: 384-67-8
• Category: Difluoromethylation Agents
• Synonyms: 2,2,2-Chlorodifluoroacetophenone
• Purity: 98%
• MDL Number: MFCD00042123

• IUPAC Name: 2-chloro-2,2-difluoro-1-phenylethanone
• InChI: InChI=1S/C8H5ClF2O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H
• InChI Key: MNOONJNILVDLSW-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)C(F)(F)Cl
• EC Number: 621-031-1

• Molecular Formula: C8H5ClF2O
• Molecular Weight: 190.57
• Storage: Keep in dark place, inert atmosphere, room temperature

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 189.9996988 g/mol
• Monoisotopic Mass: 189.9996988 g/mol
• Topological Polar Surface Area: 17.1Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 176