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Also known as: 14258-40-3, 2-(2-chloro ethoxy) ethyl acetate, Nsc72730, 2-chloroethoxyethyl acetate, Schembl1962848, Dtxsid30291045
Molecular Formula
C6H11ClO3
Molecular Weight
166.60  g/mol
InChI Key
ZUZWLUYOVJTJAG-UHFFFAOYSA-N

CAS 14258-40-3
1 2D Structure

CAS 14258-40-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(2-chloroethoxy)ethyl acetate
2.1.2 InChI
InChI=1S/C6H11ClO3/c1-6(8)10-5-4-9-3-2-7/h2-5H2,1H3
2.1.3 InChI Key
ZUZWLUYOVJTJAG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)OCCOCCCl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 14258-40-3

2. 2-(2-chloro Ethoxy) Ethyl Acetate

3. Nsc72730

4. 2-chloroethoxyethyl Acetate

5. Schembl1962848

6. Dtxsid30291045

7. Zinc1698671

8. 2-(2-chloroethoxy)ethyl Acetate #

9. 1-acetoxy-2-(2-chloroethoxy)ethane

10. Nsc-72730

11. Akos006294571

12. As-60725

13. Acetic Acid 2-(2-chloroethoxy)ethyl Ester

14. Db-063438

15. Cs-0196781

16. Ft-0696149

17. Acetic Acid 2-(2-chloro-ethoxy)-ethyl Ester

18. D95763

19. A885176

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 166.60 g/mol
Molecular Formula C6H11ClO3
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass166.0396719 g/mol
Monoisotopic Mass166.0396719 g/mol
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

BUILDING BLOCK

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