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SQ7

Summary
Name:3-(4-chlorophenyl)imidazole-2,4-dione
Formula:C9 H5 Cl N2 O2
Formal charge:0
Formula weight:208.601 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.63-(4-chlorophenyl)imidazole-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C9H5ClN2O2/c10-6-1-3-7(4-2-6)12-8(13)5-11-9(12)14/h1-5H
InChIKeyInChI1.03NBCHVOUDLBVSEK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1ccc(cc1)N2C(=O)C=NC2=O
SMILESCACTVS3.385Clc1ccc(cc1)N2C(=O)C=NC2=O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(ccc1N2C(=O)C=NC2=O)Cl
SMILESOpenEye OEToolkits2.0.6c1cc(ccc1N2C(=O)C=NC2=O)Cl

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PDB entries from 2024-07-17

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