Cas no 682804-49-5 (3-Amino-3-pentafluorophenyl-propionic acid)

3-Amino-3-pentafluorophenyl-propionic acid structure
682804-49-5 structure
Product Name:3-Amino-3-pentafluorophenyl-propionic acid
CAS No:682804-49-5
MF:C9H6F5NO2
MW:255.141459941864
CID:969857
PubChem ID:18667704
Update Time:2024-03-01

3-Amino-3-pentafluorophenyl-propionic acid Chemical and Physical Properties

Names and Identifiers

    • 3-AMINO-3-PENTAFLUOROPHENYL-PROPIONIC ACID
    • 3-Amino-3-pentafluorophenyl-propionic acid
    • MDL: MFCD02653348
    • Inchi: 1S/C9H6F5NO2/c10-5-4(2(15)1-3(16)17)6(11)8(13)9(14)7(5)12/h2H,1,15H2,(H,16,17)
    • InChI Key: SNTZUOBXYKRFCW-UHFFFAOYSA-N
    • SMILES: FC1C(=C(C(=C(C=1C(CC(=O)O)N)F)F)F)F

Computed Properties

  • Exact Mass: 255.03186924g/mol
  • Monoisotopic Mass: 255.03186924g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 277
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 63.3
  • XLogP3: -1.5
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