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9CL

Summary
Name:(chloromethyl)benzene
Formula:C7 H7 Cl
Formal charge:0
Formula weight:126.583 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(chloromethyl)benzene
OpenEye OEToolkits1.7.0chloromethylbenzene

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01ClCc1ccccc1
SMILES_CANONICALCACTVS3.370ClCc1ccccc1
SMILESCACTVS3.370ClCc1ccccc1
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)CCl
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)CCl
InChIInChI1.03InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyInChI1.03KCXMKQUNVWSEMD-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

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