Cas no 89090-81-3 (Methanone, (2-fluorophenyl)[5-nitro-2-(2-propenylamino)phenyl]-)

Methanone, (2-fluorophenyl)[5-nitro-2-(2-propenylamino)phenyl]- structure
89090-81-3 structure
Product Name:Methanone, (2-fluorophenyl)[5-nitro-2-(2-propenylamino)phenyl]-
CAS No:89090-81-3
MF:C16H13FN2O3
MW:300.284427404404
CID:612737
PubChem ID:71321983
Update Time:2025-04-19

Methanone, (2-fluorophenyl)[5-nitro-2-(2-propenylamino)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • Methanone, (2-fluorophenyl)[5-nitro-2-(2-propenylamino)phenyl]-
    • (2-fluorophenyl)-[5-nitro-2-(prop-2-enylamino)phenyl]methanone
    • DTXSID90751716
    • 89090-81-3
    • (2-Fluorophenyl){5-nitro-2-[(prop-2-en-1-yl)amino]phenyl}methanone
    • Inchi: 1S/C16H13FN2O3/c1-2-9-18-15-8-7-11(19(21)22)10-13(15)16(20)12-5-3-4-6-14(12)17/h2-8,10,18H,1,9H2
    • InChI Key: HWRMMEKPHSDCOA-UHFFFAOYSA-N
    • SMILES: FC1C=CC=CC=1C(C1C=C(C=CC=1NCC=C)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 300.09102044g/mol
  • Monoisotopic Mass: 300.09102044g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 5
  • Complexity: 424
  • 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: 4.4
  • Topological Polar Surface Area: 74.9?2
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