TC7

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Summary

Name:2,4,5-trichlorophenol
Formula:C6 H3 Cl3 O
Formal charge:0
Molecular weight:197.446 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.042,4,5-trichlorophenol
OpenEye OEToolkits1.5.02,4,5-trichlorophenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1cc(O)c(Cl)cc1Cl
SMILES_CANONICALCACTVS3.341Oc1cc(Cl)c(Cl)cc1Cl
SMILESCACTVS3.341Oc1cc(Cl)c(Cl)cc1Cl
SMILES_CANONICALOpenEye OEToolkits1.5.0c1c(c(cc(c1Cl)Cl)Cl)O
SMILESOpenEye OEToolkits1.5.0c1c(c(cc(c1Cl)Cl)Cl)O
InChIInChI1.03InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
InChIKeyInChI1.03LHJGJYXLEPZJPM-UHFFFAOYSA-N
169963
PDB entries from 2020-10-14