CAS 14258-40-3

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Chemistry

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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

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 Formula	C₆H₁₁ClO₃
Molecular Weight	166.60 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	166.0396719 g/mol
Monoisotopic Mass	166.0396719 g/mol
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	95
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1