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ES2

Summary
Name:6-chloro-1,3-dihydro-2H-indol-2-one
Formula:C8 H6 Cl N O
Formal charge:0
Formula weight:167.592 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.6.16-chloro-1,3-dihydroindol-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.352Clc1ccc2CC(=O)Nc2c1
SMILESCACTVS3.352Clc1ccc2CC(=O)Nc2c1
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc2c(cc1Cl)NC(=O)C2
SMILESOpenEye OEToolkits1.7.0c1cc2c(cc1Cl)NC(=O)C2
InChIInChI1.03InChI=1S/C8H6ClNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)
InChIKeyInChI1.03CENVPIZOTHULGJ-UHFFFAOYSA-N

221051

PDB entries from 2024-06-12

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