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Home> Hot Product Listed 6   > 6-(TRIFLUOROMETHYL)-2(3H)-BENZOTHIAZOLONEHYDRAZONE
69049-03-2 structure

6-(TRIFLUOROMETHYL)-2(3H)-BENZOTHIAZOLONEHYDRAZONE

Iupac Name:1-(2-chloroethyl)-4-ethyltetrazol-5-one
CAS No.:69049-03-2
Molecular Weight:176.604
Molecular Formula:C9H7CL2NO2S (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C5H9ClN4O/c1-2-9-5(11)10(4-3-6)8-7-9/h2-4H2,1H3
InChkey
CKOJGMKAXXTOLV-UHFFFAOYSA-N
Canonical Smiles
CCN1C(=O)N(N=N1)CCCl
Properties
Refractive Index
1.615
HS Code
2933990090
Computational chemical data
  • Molecular Weight:176.604g/mol
  • Molecular Formula:C9H7CL2NO2S
  • Compound Is Canonicalized:True
  • Exact Mass:176.046
  • Monoisotopic Mass:176.046
  • Complexity:183
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:48.3A^2
  • Heavy Atom Count:11
  • 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: AAADccBjoAAEAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAHgIIAAAAAAPBAEQDAAIAAAAK AAAAEAAAAAAAAAAWAAAIAACAAAAAAABAAAAIBgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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