FT1

4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde

Created:2010-02-25
Last modified:  2012-02-15

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Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count0
Bond Count27
Aromatic Bond Count12
2D diagram of FT1

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Chemical Component Summary

Name4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde
Systematic Name (OpenEye OEToolkits)4-[2,4-bis(chloranyl)phenoxy]-3-oxidanyl-benzaldehyde
FormulaC13 H8 Cl2 O3
Molecular Weight283.107
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc2cc(Cl)ccc2Oc1ccc(C=O)cc1O
SMILESCACTVS3.370Oc1cc(C=O)ccc1Oc2ccc(Cl)cc2Cl
SMILESOpenEye OEToolkits1.7.6c1cc(c(cc1C=O)O)Oc2ccc(cc2Cl)Cl
Canonical SMILESCACTVS3.370 Oc1cc(C=O)ccc1Oc2ccc(Cl)cc2Cl
Canonical SMILESOpenEye OEToolkits1.7.6 c1cc(c(cc1C=O)O)Oc2ccc(cc2Cl)Cl
InChIInChI1.03 InChI=1S/C13H8Cl2O3/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-16)5-11(13)17/h1-7,17H
InChIKeyInChI1.03 GKHZEXMYTPRFKV-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL240804
PubChem 23656594
ChEMBL CHEMBL240804