Cas no 54416-81-8 (Benzenamine, 4-chloro-2-fluoro-, hydrochloride)

Benzenamine, 4-chloro-2-fluoro-, hydrochloride structure
54416-81-8 structure
Product Name:Benzenamine, 4-chloro-2-fluoro-, hydrochloride
CAS No:54416-81-8
MF:C6H6Cl2FN
MW:182.022943019867
CID:354657
PubChem ID:71364695
Update Time:2025-04-19

Benzenamine, 4-chloro-2-fluoro-, hydrochloride Chemical and Physical Properties

Names and Identifiers

    • Benzenamine, 4-chloro-2-fluoro-, hydrochloride
    • 4-chloro-2-fluoroaniline,hydrochloride
    • 54416-81-8
    • 4-Chloro-2-fluoroaniline--hydrogen chloride (1/1)
    • DTXSID20788151
    • Inchi: 1S/C6H5ClFN.ClH/c7-4-1-2-6(9)5(8)3-4;/h1-3H,9H2;1H
    • InChI Key: TZZUKRWKJHFYJQ-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=C(C=1)F)N.Cl

Computed Properties

  • Exact Mass: 180.98628
  • Monoisotopic Mass: 180.9861327g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 99.1
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26?2

Experimental Properties

  • PSA: 26.02
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