PHH

4,5,6,7-TETRACHLORO-PHTHALIDE

Created:2000-10-25
Last modified:  2021-03-13

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Chemical Details

Formal Charge0
Atom Count16
Chiral Atom Count0
Bond Count17
Aromatic Bond Count6
2D diagram of PHH

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Chemical Component Summary

Name4,5,6,7-TETRACHLORO-PHTHALIDE
Synonyms4,5,6,7-TETRACHLORO-3H-ISOBENZOFURAN-1-ONE
Systematic Name (OpenEye OEToolkits)4,5,6,7-tetrachloro-3H-2-benzofuran-1-one
FormulaC8 H2 Cl4 O2
Molecular Weight271.912
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1OCc2c1c(Cl)c(Cl)c(Cl)c2Cl
SMILESCACTVS3.341Clc1c(Cl)c(Cl)c2C(=O)OCc2c1Cl
SMILESOpenEye OEToolkits1.5.0C1c2c(c(c(c(c2Cl)Cl)Cl)Cl)C(=O)O1
Canonical SMILESCACTVS3.341 Clc1c(Cl)c(Cl)c2C(=O)OCc2c1Cl
Canonical SMILESOpenEye OEToolkits1.5.0 C1c2c(c(c(c(c2Cl)Cl)Cl)Cl)C(=O)O1
InChIInChI1.03 InChI=1S/C8H2Cl4O2/c9-4-2-1-14-8(13)3(2)5(10)7(12)6(4)11/h1H2
InChIKeyInChI1.03 NMWKWBPNKPGATC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB03302 
Name4,5,6,7-Tetrachloro-3h-Isobenzofuran-1-One
Groups experimental
Synonyms4,5,6,7-Tetrachloro-3h-Isobenzofuran-1-One

Related Resource References

Resource NameReference
PubChem 33791
ChEMBL CHEMBL357452
ChEBI CHEBI:47617