Cas no 362690-57-1 (Benzene,1-chloro-4-fluoro-2-isothiocyanato-)

Benzene,1-chloro-4-fluoro-2-isothiocyanato- structure
362690-57-1 structure
Product Name:Benzene,1-chloro-4-fluoro-2-isothiocyanato-
CAS No:362690-57-1
MF:C7H3ClFNS
MW:187.621822595596
MDL:MFCD03093815
CID:297174
PubChem ID:2757582
Update Time:2025-09-22

Benzene,1-chloro-4-fluoro-2-isothiocyanato- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-chloro-4-fluoro-2-isothiocyanato-
    • 1-Chloro-4-fluoro-2-isothiocyanatobenzene
    • SY079724
    • 2-chloro-5-fluorophenylisothiocyanate
    • 362690-57-1
    • 2-Chloro-5-fluorophenyl isothiocyanate
    • DTXSID10373954
    • SCHEMBL4191737
    • FS-5043
    • AKOS006277223
    • DB-273868
    • Benzene, 1-chloro-4-fluoro-2-isothiocyanato-
    • Benzene, 1-chloro-4-fluoro-2-isothiocyanato- (9CI)
    • MDL: MFCD03093815
    • Inchi: 1S/C7H3ClFNS/c8-6-2-1-5(9)3-7(6)10-4-11/h1-3H
    • InChI Key: QABOGYOGBPYGBP-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1N=C=S)F

Computed Properties

  • Exact Mass: 186.96599
  • Monoisotopic Mass: 186.966
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 181
  • 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: 4.1
  • Topological Polar Surface Area: 44.4?2

Experimental Properties

  • PSA: 12.36

Benzene,1-chloro-4-fluoro-2-isothiocyanato- Pricemore >>

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