• 
  [Synonyms]
  2-(8-Chloromethyl-1-naphthylthio)acetic acid
  LS-11309
  ACETIC ACID, 2-(8-CHLOROMETHYL-1-NAPHTHYLTHIO)-
  Kyselina S-(8-chlormethyl-1-naftyl)thioglykolova [Czech]
  64059-42-3
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	266.74324 [g/mol]
  Molecular Formula	C13H11ClO2S
  XLogP	3.6
  H-Bond Donor	1
  H-Bond Acceptor	2
  Rotatable Bond Count	4
  Exact Mass	266.016828
  MonoIsotopic Mass	266.016828
  Topological Polar Surface Area	37.3
  Heavy Atom Count	17
  Formal Charge	0
  Complexity	272
  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-[8-(chloromethyl)naphthalen-1-yl]sulfanylacetic acid
  Canonical SMILES: C1=CC2=C(C(=C1)CCl)C(=CC=C2)SCC(=O)O
  InChI: InChI=1/C13H11ClO2S/c14-7-10-5-1-3-9-4-2-6-11(13(9)10)17-8-12(15)16/h1-
  6H,7-8H2,(H,15,16)/f/h15H