Cas no 778549-42-1 (Hydroxylamine,O-[3-(3-fluorophenyl)-2-propyn-1-yl]-)

Hydroxylamine,O-[3-(3-fluorophenyl)-2-propyn-1-yl]- structure
778549-42-1 structure
Product Name:Hydroxylamine,O-[3-(3-fluorophenyl)-2-propyn-1-yl]-
CAS No:778549-42-1
MF:C9H8FNO
MW:165.164325714111
CID:553177
PubChem ID:10702192
Update Time:2025-04-19

Hydroxylamine,O-[3-(3-fluorophenyl)-2-propyn-1-yl]- Chemical and Physical Properties

Names and Identifiers

    • Hydroxylamine,O-[3-(3-fluorophenyl)-2-propyn-1-yl]-
    • Hydroxylamine,O-[3-(3-fluorophenyl)-2-propynyl]- (9CI)
    • 1-[3-(Aminooxy)-1-propyn-1-yl]-3-fluorobenzene
    • 778549-42-1
    • Inchi: 1S/C9H8FNO/c10-9-5-1-3-8(7-9)4-2-6-12-11/h1,3,5,7H,6,11H2
    • InChI Key: XJHMIUGVRBDWCP-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(C#CCON)=C1

Computed Properties

  • Exact Mass: 165.058992041g/mol
  • Monoisotopic Mass: 165.058992041g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 193
  • 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: 1.3
  • Topological Polar Surface Area: 35.2?2
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