Cas no 25939-02-0 (Benzenecarbohydrazonoylchloride, 4-fluoro-N-phenyl-)

Benzenecarbohydrazonoylchloride, 4-fluoro-N-phenyl- structure
25939-02-0 structure
Product Name:Benzenecarbohydrazonoylchloride, 4-fluoro-N-phenyl-
CAS No:25939-02-0
MF:C13H10ClFN2
MW:248.683305263519
CID:281696
PubChem ID:33245
Update Time:2025-04-19

Benzenecarbohydrazonoylchloride, 4-fluoro-N-phenyl- Chemical and Physical Properties

Names and Identifiers

    • Benzenecarbohydrazonoylchloride, 4-fluoro-N-phenyl-
    • 4-Fluoro-N-phenylbenzenecarbohydrazonoyl chloride
    • DTXSID101233279
    • 25939-02-0
    • Inchi: 1S/C13H10ClFN2/c14-13(10-6-8-11(15)9-7-10)17-16-12-4-2-1-3-5-12/h1-9,16H
    • InChI Key: DWSYVIYQPRXBEU-UHFFFAOYSA-N
    • SMILES: ClC(C1C=CC(=CC=1)F)=NNC1C=CC=CC=1

Computed Properties

  • Exact Mass: 248.0518
  • Monoisotopic Mass: 248.0516542g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 256
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 4.7
  • Topological Polar Surface Area: 24.4?2

Experimental Properties

  • PSA: 24.39
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