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BBU

Summary
Name:1-BROMOBUTANE
Formula:C4 H9 Br
Formal charge:0
Formula weight:137.018 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-bromobutane
OpenEye OEToolkits1.5.01-bromobutane

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04BrCCCC
SMILES_CANONICALCACTVS3.341CCCCBr
SMILESCACTVS3.341CCCCBr
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCBr
SMILESOpenEye OEToolkits1.5.0CCCCBr
InChIInChI1.03InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3
InChIKeyInChI1.03MPPPKRYCTPRNTB-UHFFFAOYSA-N

223532

PDB entries from 2024-08-07

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