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JPA

Summary
Name:4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-3-OL
Formula:C19 H14 Cl2 O2
Formal charge:0
Formula weight:345.219 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-(2,4-dichlorophenoxy)-2'-methylbiphenyl-3-ol
OpenEye OEToolkits1.5.02-(2,4-dichlorophenoxy)-5-(2-methylphenyl)phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc3cc(Cl)ccc3Oc2ccc(c1ccccc1C)cc2O
SMILES_CANONICALCACTVS3.341Cc1ccccc1c2ccc(Oc3ccc(Cl)cc3Cl)c(O)c2
SMILESCACTVS3.341Cc1ccccc1c2ccc(Oc3ccc(Cl)cc3Cl)c(O)c2
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1ccccc1c2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl
SMILESOpenEye OEToolkits1.5.0Cc1ccccc1c2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl
InChIInChI1.03InChI=1S/C19H14Cl2O2/c1-12-4-2-3-5-15(12)13-6-8-19(17(22)10-13)23-18-9-7-14(20)11-16(18)21/h2-11,22H,1H3
InChIKeyInChI1.03VDWAWADVXJMBAA-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

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