Cas no 1000574-64-0 (4-Bromo-2,6-difluorophenyl isothiocyanate)

4-Bromo-2,6-difluorophenyl isothiocyanate structure
1000574-64-0 structure
Product Name:4-Bromo-2,6-difluorophenyl isothiocyanate
CAS No:1000574-64-0
MF:C7H2BrF2NS
MW:250.063286304474
CID:3157794
PubChem ID:26599182
Update Time:2025-04-21

4-Bromo-2,6-difluorophenyl isothiocyanate Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-2,6-difluorophenyl isothiocyanate
    • 4-Bromo-2,6-difluorophenylisothiocyanate
    • 5-bromo-1,3-difluoro-2-isothiocyanatobenzene
    • AKOS014839065
    • 1000574-64-0
    • SY328435
    • MFCD00123917
    • MDL: MFCD00123917
    • Inchi: 1S/C7H2BrF2NS/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H
    • InChI Key: DKMIUJJMEGJAHP-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C(=C(C=1)F)N=C=S)F

Computed Properties

  • Exact Mass: 248.90594Da
  • Monoisotopic Mass: 248.90594Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 196
  • 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
  • XLogP3: 4.2
  • Topological Polar Surface Area: 44.5?2

4-Bromo-2,6-difluorophenyl isothiocyanate Pricemore >>

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