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2- (2- (2-Chloroethoxy) ethoxy) ethanol

CAT: 0127-OR75175-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR75175-01Size:25 g
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CAS Number
5197-62-6
MDL Number
MFCD00002874
Purity
96%
Smiles
ClCCOCCOCCO

Chemical Information

2-(2-(2-Chloroethoxy)ethoxy)ethanol
CAS Number5197-62-6
PubChem CID78871
IUPAC Name2-[2-(2-chloroethoxy)ethoxy]ethanol
Molecular FormulaC6H13ClO3
Molecular Weight168.62
XLogP-0.3
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count10
Formal Charge0
Complexity61
SMILES
C(COCCOCCCl)O
InChI
InChI=1S/C6H13ClO3/c7-1-3-9-5-6-10-4-2-8/h8H,1-6H2
InChIKey
KECMLGZOQMJIBM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-(2-Chloroethoxy)ethoxy)ethanol
CAS: 5197-62-6
CID: 78871
Formula: C6H13ClO3
MW: 168.62
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight168.62
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass168.0553220
Monoisotopic Mass168.0553220
Topological Polar Surface Area38.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity61
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