L1O

4-(2-aminoethoxy)-3,5-dichlorobenzoic acid

Created:2007-12-05
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count0
Bond Count24
Aromatic Bond Count6
2D diagram of L1O

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Chemical Component Summary

Name4-(2-aminoethoxy)-3,5-dichlorobenzoic acid
Systematic Name (OpenEye OEToolkits)4-(2-aminoethoxy)-3,5-dichloro-benzoic acid
FormulaC9 H9 Cl2 N O3
Molecular Weight250.079
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1cc(cc(Cl)c1OCCN)C(=O)O
SMILESCACTVS3.341NCCOc1c(Cl)cc(cc1Cl)C(O)=O
SMILESOpenEye OEToolkits1.5.0c1c(cc(c(c1Cl)OCCN)Cl)C(=O)O
Canonical SMILESCACTVS3.341 NCCOc1c(Cl)cc(cc1Cl)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 c1c(cc(c(c1Cl)OCCN)Cl)C(=O)O
InChIInChI1.03 InChI=1S/C9H9Cl2NO3/c10-6-3-5(9(13)14)4-7(11)8(6)15-2-1-12/h3-4H,1-2,12H2,(H,13,14)
InChIKeyInChI1.03 BCUWXCINVFOVDJ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 23653529, 44629586
ChEMBL CHEMBL401484