Cas no 1415825-16-9 ()

1415825-16-9 structure
structure
Product Name:
CAS No:1415825-16-9
MF:C7H9F2NO2
MW:177.14866900444
CID:6767326
PubChem ID:86721855
Update Time:2024-03-03

Chemical and Physical Properties

Names and Identifiers

    • Inchi: 1S/C7H9F2NO2/c8-7(9)4-10(5-7)3-1-2-6(11)12/h1-2H,3-5H2,(H,11,12)/b2-1+
    • InChI Key: ICGGWBQKZMZMAX-OWOJBTEDSA-N
    • SMILES: FC1(CN(C/C=C/C(=O)O)C1)F

Computed Properties

  • Exact Mass: 177.06013485g/mol
  • Monoisotopic Mass: 177.06013485g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 208
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.8
  • Topological Polar Surface Area: 40.5?2
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