• 
  [Synonyms]
  NSC 91103
  NSC91103
  BRN 3093349
  2-sec-Butylamino-3-chloro-1,4-naphthoquinone
  WLN: L66 BV EVJ CMY2&1 DG
  LS-95623
  1,4-NAPHTHOQUINONE, 2-(sec-BUTYLAMINO)-3-CHLORO-
  4-14-00-00404 (Beilstein Handbook Reference)
  22272-32-8
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	263.71946 [g/mol]
  Molecular Formula	C14H14ClNO2
  XLogP	3.6
  H-Bond Donor	1
  H-Bond Acceptor	3
  Rotatable Bond Count	3
  Tautomer Count	3
  Exact Mass	263.071306
  MonoIsotopic Mass	263.071306
  Topological Polar Surface Area	46.2
  Heavy Atom Count	18
  Formal Charge	0
  Complexity	403
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	1
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: 2-(butan-2-ylamino)-3-chloronaphthalene-1,4-dione
  Canonical SMILES: CCC(C)NC1=C(C(=O)C2=CC=CC=C2C1=O)Cl
  InChI: InChI=1/C14H14ClNO2/c1-3-8(2)16-12-11(15)13(17)9-6-4-5-7-10(9)14(12)18/
  h4-8,16H,3H2,1-2H3