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BDD

Summary
Name:BROMO-DODECANOL
Formula:C12 H25 Br O
Formal charge:0
Formula weight:265.23 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.0412-bromododecan-1-ol
OpenEye OEToolkits1.5.012-bromododecan-1-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04BrCCCCCCCCCCCCO
SMILES_CANONICALCACTVS3.341OCCCCCCCCCCCCBr
SMILESCACTVS3.341OCCCCCCCCCCCCBr
SMILES_CANONICALOpenEye OEToolkits1.5.0C(CCCCCCBr)CCCCCO
SMILESOpenEye OEToolkits1.5.0C(CCCCCCBr)CCCCCO
InChIInChI1.03InChI=1S/C12H25BrO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h14H,1-12H2
InChIKeyInChI1.03ASIDMJNTHJYVQJ-UHFFFAOYSA-N

219140

PDB entries from 2024-05-01

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