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1,2-Bis (2-iodoethoxy) ethane

CAT: 0127-BUP17435Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP17435Size:100 mg
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CAS Number
36839-55-1
Purity
=98%
Smiles
ICCOCCOCCI

Chemical Information

1,2-Bis(2-iodoethoxy)ethane
CAS Number36839-55-1
PubChem CID593436
IUPAC Name1,2-bis(2-iodoethoxy)ethane
Molecular FormulaC6H12I2O2
Molecular Weight369.97
XLogP2.2
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count10
Formal Charge0
Complexity53
SMILES
C(COCCI)OCCI
InChI
InChI=1S/C6H12I2O2/c7-1-3-9-5-6-10-4-2-8/h1-6H2
InChIKey
BCAGFJXMCZSAHD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Bis(2-iodoethoxy)ethane
CAS: 36839-55-1
CID: 593436
Formula: C6H12I2O2
MW: 369.97
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight369.97
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass369.89267
Monoisotopic Mass369.89267
Topological Polar Surface Area18.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity53.7
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