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BnO-PEG3-Br

CAT: 0013-GTR19276842-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276842-02Size:50 mg
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Description
BnO-PEG3-Br is a PROTAC linker used in the synthesis of PROTAC molecules.
CAS Number
1239369-02-8
Smiles
BrCCOCCOCCOCCOCC=1C=CC=CC1
Molecular Formula
C15H23BrO4
Molecular Weight
347.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

BnO-PEG3-CH2CH2Br
CAS Number1239369-02-8
PubChem CID129316396
IUPAC Name2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxymethylbenzene
Molecular FormulaC15H23BrO4
Molecular Weight347.24
XLogP1.9
Topological Polar Surface Area36.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Heavy Atom Count20
Formal Charge0
Complexity198
SMILES
C1=CC=C(C=C1)COCCOCCOCCOCCBr
InChI
InChI=1S/C15H23BrO4/c16-6-7-17-8-9-18-10-11-19-12-13-20-14-15-4-2-1-3-5-15/h1-5H,6-14H2
InChIKey
QOLRJPZRCKWFBQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BnO-PEG3-CH2CH2Br
CAS: 1239369-02-8
CID: 129316396
Formula: C15H23BrO4
MW: 347.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.24
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Exact Mass346.07797
Monoisotopic Mass346.07797
Topological Polar Surface Area36.9 Ų
Heavy Atom Count20
Formal Charge0
Complexity198
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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