TCZ

1,3,5-TRICHLORO-BENZENE

Created:2002-01-09
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count12
Chiral Atom Count0
Bond Count12
Aromatic Bond Count6
2D diagram of TCZ
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Chemical Component Summary

Name1,3,5-TRICHLORO-BENZENE
Systematic Name (OpenEye OEToolkits)1,3,5-trichlorobenzene
FormulaC6 H3 Cl3
Molecular Weight181.447
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1cc(Cl)cc(Cl)c1
SMILESCACTVS3.341Clc1cc(Cl)cc(Cl)c1
SMILESOpenEye OEToolkits1.5.0c1c(cc(cc1Cl)Cl)Cl
Canonical SMILESCACTVS3.341 Clc1cc(Cl)cc(Cl)c1
Canonical SMILESOpenEye OEToolkits1.5.0 c1c(cc(cc1Cl)Cl)Cl
InChIInChI1.03 InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKeyInChI1.03 XKEFYDZQGKAQCN-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB03836 
Name1,3,5-trichlorobenzene
Groups experimental
Synonyms
  • s-trichlorobenzene
  • sym-trichlorobenzene
  • 1,3,5-trichloro-benzene
  • 1,3,5-trichlorobenzene
Categories
  • Benzene Derivatives
  • Hydrocarbons, Chlorinated
  • Hydrocarbons, Halogenated
CAS number108-70-3

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Camphor 5-monooxygenaseMTTETIQSNANLAPLPPHVPEHLVFDFDMYNPSNLSAGVQEAWAVLQESN...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 7950
ChEMBL CHEMBL44228
ChEBI CHEBI:49916
CCDC/CSD TCHLBZ03, TCHLBZ, TCHLBZ04, TCHLBZ05