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Ethyl 11-bromoundecanoate

CAT: 0013-GTR19276964-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276964-01Size:10 mg
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Description
Ethyl 11-bromoundecanoate is a PROTAC linker utilized in the synthesis of PROTAC molecules.
CAS Number
6271-23-4
Smiles
O=C (OCC) CCCCCCCCCCBr
Molecular Formula
C13H25BrO2
Molecular Weight
293.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ethyl 11-bromoundecanoate
CAS Number6271-23-4
PubChem CID235144
IUPAC Nameethyl 11-bromoundecanoate
Molecular FormulaC13H25BrO2
Molecular Weight293.24
XLogP5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Heavy Atom Count16
Formal Charge0
Complexity160
SMILES
CCOC(=O)CCCCCCCCCCBr
InChI
InChI=1S/C13H25BrO2/c1-2-16-13(15)11-9-7-5-3-4-6-8-10-12-14/h2-12H2,1H3
InChIKey
RGWOAXNKJWTDFA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 11-bromoundecanoate
CAS: 6271-23-4
CID: 235144
Formula: C13H25BrO2
MW: 293.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.24
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Exact Mass292.10379
Monoisotopic Mass292.10379
Topological Polar Surface Area26.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity160
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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