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1-Chloro-2- (2-iodoethoxy) ethane

CAT: 0013-GTR19275603-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275603-01Size:10 mg
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Description
1-Chloro-2- (2-iodoethoxy) ethane is a PROTAClinker used in the synthesis of PROTAC molecules.
CAS Number
42070-18-8
Smiles
ClCCOCCI
Molecular Formula
C4H8ClIO
Molecular Weight
234.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Chloro-2-(2-iodoethoxy)ethane
CAS Number42070-18-8
PubChem CID86625811
IUPAC Name1-chloro-2-(2-iodoethoxy)ethane
Molecular FormulaC4H8ClIO
Molecular Weight234.46
XLogP1.8
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count7
Formal Charge0
Complexity34
SMILES
C(CCl)OCCI
InChI
InChI=1S/C4H8ClIO/c5-1-3-7-4-2-6/h1-4H2
InChIKey
XXUFCDWWUANVRH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Chloro-2-(2-iodoethoxy)ethane
CAS: 42070-18-8
CID: 86625811
Formula: C4H8ClIO
MW: 234.46
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.46
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass233.93084
Monoisotopic Mass233.93084
Topological Polar Surface Area9.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity34.9
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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