• 
  [Synonyms]
  BRN 0833994
  LS-12975
  3-((Trifluoroacetyl)hydrazino)-5-(4-chlorophenyl)-1,2,4-triazine
  Trifluoroacetic acid, 2-(5-(4-chlorophenyl)-3-as-triazinyl)hydrazide
  ACETIC ACID, TRIFLUORO-, 2-(5-(4-CHLOROPHENYL)-3-as-TRIAZINYL)HYDRAZIDE
  70551-82-5
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	317.65439 [g/mol]
  Molecular Formula	C11H7ClF3N5O
  XLogP	3.1
  H-Bond Donor	2
  H-Bond Acceptor	8
  Rotatable Bond Count	3
  Tautomer Count	8
  Exact Mass	317.029122
  MonoIsotopic Mass	317.029122
  Topological Polar Surface Area	79.8
  Heavy Atom Count	21
  Formal Charge	0
  Complexity	362
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: N'-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-2,2,2-trifluoroacetohydrazide
  Canonical SMILES: C1=CC(=CC=C1C2=CN=NC(=N2)NNC(=O)C(F)(F)F)Cl
  InChI: InChI=1/C11H7ClF3N5O/c12-7-3-1-6(2-4-7)8-5-16-19-10(17-8)20-18-9(21)11
  (13,14)15/h1-5H,(H,18,21)(H,17,19,20)/f/h18,20H