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8CL

Summary
Name:chlorobenzene
Formula:C6 H5 Cl
Formal charge:0
Formula weight:112.557 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04chlorobenzene
OpenEye OEToolkits1.5.0chlorobenzene

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1ccccc1
SMILES_CANONICALCACTVS3.341Clc1ccccc1
SMILESCACTVS3.341Clc1ccccc1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)Cl
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)Cl
InChIInChI1.03InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
InChIKeyInChI1.03MVPPADPHJFYWMZ-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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