CFA

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Summary

Name:(2,4-DICHLOROPHENOXY)ACETIC ACID
Synonyms:2,4-DICHLOROPHENOXYACETIC ACID
Formula:C8 H6 Cl2 O3
Formal charge:0
Molecular weight:221.037 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2,4-dichlorophenoxy)acetic acid
OpenEye OEToolkits1.5.02-(2,4-dichlorophenoxy)ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1cc(Cl)ccc1OCC(=O)O
SMILES_CANONICALCACTVS3.341OC(=O)COc1ccc(Cl)cc1Cl
SMILESCACTVS3.341OC(=O)COc1ccc(Cl)cc1Cl
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(c(cc1Cl)Cl)OCC(=O)O
SMILESOpenEye OEToolkits1.5.0c1cc(c(cc1Cl)Cl)OCC(=O)O
InChIInChI1.03InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKeyInChI1.03OVSKIKFHRZPJSS-UHFFFAOYSA-N
167518
PDB entries from 2020-08-12