Cas no 1261775-92-1 (1-(2-Bromo-3-fluorophenyl)propan-1-one)

1-(2-Bromo-3-fluorophenyl)propan-1-one structure
1261775-92-1 structure
Product Name:1-(2-Bromo-3-fluorophenyl)propan-1-one
CAS No:1261775-92-1
MF:C9H8BrFO
MW:231.061625480652
CID:1084237
PubChem ID:73553757
Update Time:2025-04-20

1-(2-Bromo-3-fluorophenyl)propan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-(2-Bromo-3-fluorophenyl)propan-1-one
    • 1-(2-Bromo-3-fluorophenyl)-1-propanone
    • DTXSID401275430
    • 1-Propanone, 1-(2-bromo-3-fluorophenyl)-
    • 1261775-92-1
    • Inchi: 1S/C9H8BrFO/c1-2-8(12)6-4-3-5-7(11)9(6)10/h3-5H,2H2,1H3
    • InChI Key: FYLJUZRUBKUSPC-UHFFFAOYSA-N
    • SMILES: BrC1C(=CC=CC=1C(CC)=O)F

Computed Properties

  • Exact Mass: 229.974
  • Monoisotopic Mass: 229.974
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 172
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 17.1A^2
  • XLogP3: 2.9

Experimental Properties

  • Density: 1.463±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 268.7±25.0 oC (760 Torr),
  • Flash Point: 116.3±23.2 oC,
  • Solubility: Very slightly soluble (0.17 g/l) (25 o C),

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