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Home> Encyclopedia > Hot Product Listed 6   > 6-Benzothiazolecarbonitrile,2-chloro-
93213-75-3 structure

6-Benzothiazolecarbonitrile,2-chloro-

Iupac Name:2-(bromomethyl)-3-nitrobenzonitrile
CAS No.:93213-75-3
Molecular Weight:241.044
Molecular Formula:C11H13NO2 (isomer)
Properties
Flash Point
186.4°C
Computational chemical data
  • Molecular Weight:241.044g/mol
  • Molecular Formula:C11H13NO2
  • Compound Is Canonicalized:True
  • Exact Mass:239.953
  • Monoisotopic Mass:239.953
  • Complexity:242
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:69.6A^2
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBzMAAAEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHABEAAABTAiBGAAwwIAQQACR BiRCQwCiAAAgAgAoiAAAZKoIoCKAkZGAIABggAAIyB8QgIAOgAAAQAASAAAAAACAACQAAAAAAAAA AA==
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