Cas no 1228788-14-4 (1-(2-Bromo-5-chlorophenyl)-4,4,4-trifluorobutan-1-one)

1-(2-Bromo-5-chlorophenyl)-4,4,4-trifluorobutan-1-one structure
1228788-14-4 structure
Product Name:1-(2-Bromo-5-chlorophenyl)-4,4,4-trifluorobutan-1-one
CAS No:1228788-14-4
MF:C10H7BrClF3O
MW:315.514191865921
CID:2201064
Update Time:2023-08-06

1-(2-Bromo-5-chlorophenyl)-4,4,4-trifluorobutan-1-one Chemical and Physical Properties

Names and Identifiers

    • FMDTWPZGPMFUQO-UHFFFAOYSA-N
    • 1-(2-bromo-5-chlorophenyl)-4,4,4-trifluorobutan-1-one
    • 1-Butanone,1-(2-bromo-5-chlorophenyl)-4,4,4-trifluoro-
    • 1-Butanone, 1-(2-bromo-5-chlorophenyl)-4,4,4-trifluoro-
    • 1-(2-Bromo-5-chlorophenyl)-4,4,4-trifluorobutan-1-one
    • Inchi： 1S/C10H7BrClF3O/c11-8-2-1-6(12)5-7(8)9(16)3-4-10(13,14)15/h1-2,5H,3-4H2
    • InChI Key： FMDTWPZGPMFUQO-UHFFFAOYSA-N
    • SMILES： BrC1C=CC(=CC=1C(CCC(F)(F)F)=O)Cl

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 257
  • Topological Polar Surface Area: 17.1

Experimental Properties

  • Density: 1.589

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