Cas no 886501-37-7 (1-bromo-2-chloro-3-fluoro-4-isothiocyanatobenzene)

1-bromo-2-chloro-3-fluoro-4-isothiocyanatobenzene structure
886501-37-7 structure
Product Name:1-bromo-2-chloro-3-fluoro-4-isothiocyanatobenzene
CAS No:886501-37-7
MF:C7H2BrClFNS
MW:266.51788187027
CID:1926293
PubChem ID:7183299
Update Time:2025-04-21

1-bromo-2-chloro-3-fluoro-4-isothiocyanatobenzene Chemical and Physical Properties

Names and Identifiers

    • 1-Bromo-2-chloro-3-fluoro-4-isothiocyanatobenzene
    • 4-BROMO-3-CHLORO-2-FLUOROPHENYL ISOTHIOCYANATE
    • 4-bromo-3-chloro-2-fluorophenylisothiocyanate
    • MFCD07782188
    • SY078040
    • 886501-37-7
    • SCHEMBL1093861
    • 1-bromo-2-chloro-3-fluoro-4-isothiocyanatobenzene
    • MDL: MFCD07782188
    • Inchi: 1S/C7H2BrClFNS/c8-4-1-2-5(11-3-12)7(10)6(4)9/h1-2H
    • InChI Key: GQBMNHGUPIKZOP-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C=1Cl)F)N=C=S

Computed Properties

  • Exact Mass: 264.87639Da
  • Monoisotopic Mass: 264.87639Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 210
  • 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: 4.7
  • Topological Polar Surface Area: 44.5?2

1-bromo-2-chloro-3-fluoro-4-isothiocyanatobenzene Pricemore >>

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