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CHM

Summary
Name:1,3-DICHLORO-PROPAN-2-ONE
Synonyms:Bis(chloromethyl) ketone
Formula:C3 H4 Cl2 O
Formal charge:0
Formula weight:126.969 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.5.01,3-dichloropropan-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS2.87ClCC(=O)CCl
SMILES_CANONICALCACTVS2.87ClCC(=O)CCl
SMILES_CANONICALOpenEye OEToolkits1.5.0C(C(=O)CCl)Cl
SMILESOpenEye OEToolkits1.5.0C(C(=O)CCl)Cl
InChIInChI1.03InChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2
InChIKeyInChI1.03SUNMBRGCANLOEG-UHFFFAOYSA-N

221051

PDB entries from 2024-06-12

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