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CP2

Summary
Name:1,2-DICHLORO-PROPANE
Formula:C3 H6 Cl2
Formal charge:0
Formula weight:112.986 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2S)-1,2-dichloropropane
OpenEye OEToolkits1.5.0(2S)-1,2-dichloropropane

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04ClCC(Cl)C
SMILES_CANONICALCACTVS3.341C[C@H](Cl)CCl
SMILESCACTVS3.341C[CH](Cl)CCl
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@@H](CCl)Cl
SMILESOpenEye OEToolkits1.5.0CC(CCl)Cl
InChIInChI1.03InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3/t3-/m0/s1
InChIKeyInChI1.03KNKRKFALVUDBJE-VKHMYHEASA-N

218853

PDB entries from 2024-04-24

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