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4CL

Summary
Name:4-CHLOROBENZENE-1,2-DIOL
Formula:C6 H5 Cl O2
Formal charge:0
Formula weight:144.556 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-chlorobenzene-1,2-diol
OpenEye OEToolkits1.5.04-chlorobenzene-1,2-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1cc(O)c(O)cc1
SMILES_CANONICALCACTVS3.341Oc1ccc(Cl)cc1O
SMILESCACTVS3.341Oc1ccc(Cl)cc1O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(c(cc1Cl)O)O
SMILESOpenEye OEToolkits1.5.0c1cc(c(cc1Cl)O)O
InChIInChI1.03InChI=1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H
InChIKeyInChI1.03WWOBYPKUYODHDG-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

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