• 
  [Synonyms]
  NSC96997
  59504-75-5
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	216.05364 [g/mol]
  Molecular Formula	C3H6BrNO3S
  XLogP	-0.1
  H-Bond Donor	1
  H-Bond Acceptor	3
  Rotatable Bond Count	2
  Tautomer Count	2
  Exact Mass	214.925176
  MonoIsotopic Mass	214.925176
  Topological Polar Surface Area	63.2
  Heavy Atom Count	9
  Formal Charge	0
  Complexity	192
  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: 2-bromo-N-methylsulfonylacetamide
  Canonical SMILES: CS(=O)(=O)NC(=O)CBr
  InChI: InChI=1/C3H6BrNO3S/c1-9(7,8)5-3(6)2-4/h2H2,1H3,(H,5,6)/f/h5H