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Ethyl 2- (2-Chloroethoxy) Acetate

CAT: 0127-OR1029297-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1029297-01Size:1 g
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CAS Number
14258-40-3
Synonyms
2- (2-chloroethoxy) ethyl acetate
Purity
98%
Smiles
CC(=O)OCCOCCCl

Chemical Information

2-(2-Chloroethoxy)ethyl acetate
CAS Number14258-40-3
PubChem CID251808
IUPAC Name2-(2-chloroethoxy)ethyl acetate
Molecular FormulaC6H11ClO3
Molecular Weight166.60
XLogP0.6
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count10
Formal Charge0
Complexity95
SMILES
CC(=O)OCCOCCCl
InChI
InChI=1S/C6H11ClO3/c1-6(8)10-5-4-9-3-2-7/h2-5H2,1H3
InChIKey
ZUZWLUYOVJTJAG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Chloroethoxy)ethyl acetate
CAS: 14258-40-3
CID: 251808
Formula: C6H11ClO3
MW: 166.60
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight166.60
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass166.0396719
Monoisotopic Mass166.0396719
Topological Polar Surface Area35.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity95
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