• 
  [Synonyms]
  Naphthol AS-BI phosphate
  Naphthol aS bi phosphate
  Naphthol aS-bl phosphate
  Naphthol aS-bi phosphoric acid
  1802_SIGMA
  3864_SIGMA
  3871_SIGMA
  N2125_SIAL
  EINECS 217-645-0
  Naphthol AS-BI Phosphoric acid solution
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	452.192561 [g/mol]
  Molecular Formula	C18H15BrNO6P
  XLogP	3.1
  H-Bond Donor	3
  H-Bond Acceptor	6
  Rotatable Bond Count	5
  Tautomer Count	2
  Exact Mass	450.982036
  MonoIsotopic Mass	450.982036
  Topological Polar Surface Area	105
  Heavy Atom Count	27
  Formal Charge	0
  Complexity	572
  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: [6-bromo-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl] dihydrogen
  phosphate
  Canonical SMILES: COC1=CC=CC=C1NC(=O)C2=C(C=C3C=CC(=CC3=C2)Br)OP(=O)(O)O
  InChI: InChI=1/C18H15BrNO6P/c1-25-16-5-3-2-4-15(16)20-18(21)14-9-12-8-13(19)7-
  6-11(12)10-17(14)26-27(22,23)24/h2-10H,1H3,(H,20,21)(H2,22,23,24)/f/h20,
  22-23H