CLX

TRI-CHLORO-ACETALDEHYDE

Created: 1999-07-08
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count7
Chiral Atom Count0
Bond Count6
Aromatic Bond Count0
2D diagram of CLX

Chemical Component Summary

NameTRI-CHLORO-ACETALDEHYDE
Systematic Name (OpenEye OEToolkits)2,2,2-trichloroethanal
FormulaC2 H Cl3 O
Molecular Weight147.388
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04ClC(Cl)(Cl)C=O
SMILESCACTVS3.341ClC(Cl)(Cl)C=O
SMILESOpenEye OEToolkits1.5.0C(=O)C(Cl)(Cl)Cl
Canonical SMILESCACTVS3.341 ClC(Cl)(Cl)C=O
Canonical SMILESOpenEye OEToolkits1.5.0 C(=O)C(Cl)(Cl)Cl
InChIInChI1.03 InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H
InChIKeyInChI1.03 HFFLGKNGCAIQMO-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB02650 
NameTrichloroacetaldehyde
Groups experimental
Synonyms
  • Trichloroacetaldehyd
  • Chloral
  • Trichloroacetaldehyde
  • Anhydrous chloral
  • Tri-chloro-acetaldehyde
Categories
  • Alcohols
  • Ethylene Glycols
  • Glycols
CAS number75-87-6

Related Resource References

Resource NameReference
PubChem 6407
ChEMBL CHEMBL27551
ChEBI CHEBI:48814