• 
  [Synonyms]
  NSC108510
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	347.04572 [g/mol]
  Molecular Formula	C12H13Br2NO
  H-Bond Donor	0
  H-Bond Acceptor	1
  Rotatable Bond Count	0
  Exact Mass	346.934343
  MonoIsotopic Mass	344.936389
  Topological Polar Surface Area	20.3
  Heavy Atom Count	16
  Formal Charge	0
  Complexity	282
  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	2

  
  [ Descriptors Computed from Structure]
  IUPAC Name: molecular bromine; 1,4,6-trimethylquinolin-2-one
  Canonical SMILES: CC1=CC2=C(C=C1)N(C(=O)C=C2C)C.BrBr
  InChI: InChI=1/C12H13NO.Br2/c1-8-4-5-11-10(6-8)9(2)7-12(14)13(11)3;1-2/h4-7H,
  1-3H3;