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2- (2-Bromoethyl) -1,3-dioxolane

CAT: 0013-GTR19276282-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276282-01Size:50 mg
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Description
2- (2-Bromoethyl) -1,3-dioxolane is a PROTAC linker that can be used in the synthesis of PROTAC molecules.
CAS Number
18742-02-4
Smiles
BrCCC1OCCO1
Molecular Formula
C5H9BrO2
Molecular Weight
181.03
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(2-Bromoethyl)-1,3-dioxolane
CAS Number18742-02-4
PubChem CID87776
IUPAC Name2-(2-bromoethyl)-1,3-dioxolane
Molecular FormulaC5H9BrO2
Molecular Weight181.03
XLogP1
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity61
SMILES
C1COC(O1)CCBr
InChI
InChI=1S/C5H9BrO2/c6-2-1-5-7-3-4-8-5/h5H,1-4H2
InChIKey
GGZQLTVZPOGLCC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Bromoethyl)-1,3-dioxolane
CAS: 18742-02-4
CID: 87776
Formula: C5H9BrO2
MW: 181.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.03
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass179.97859
Monoisotopic Mass179.97859
Topological Polar Surface Area18.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity61.4
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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