• 
  [Synonyms]
  CBMicro_017751
  NCIOpen2_003219
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	227.164286 [g/mol]
  Molecular Formula	C10H7F2NO3
  XLogP	1.3
  H-Bond Donor	2
  H-Bond Acceptor	5
  Rotatable Bond Count	3
  Tautomer Count	2
  Exact Mass	227.039399
  MonoIsotopic Mass	227.039399
  Topological Polar Surface Area	66.4
  Heavy Atom Count	16
  Formal Charge	0
  Complexity	306
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	1
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: 4-[(2,4-difluorophenyl)amino]-4-oxobut-2-enoic acid
  Canonical SMILES: C1=CC(=C(C=C1F)F)NC(=O)C=CC(=O)O
  InChI: InChI=1/C10H7F2NO3/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(15)16/h1-5H,(H,
  13,14)(H,15,16)/f/h13,15H