CAS 36961-64-5

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Chemistry

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Also known as: 36961-64-5, Acetamide, 2-(2-chloroethoxy)-, Mfcd00800223, 2-chloroethoxyacetamide, 2-chloroethoxy acetamide, (2-chloroethoxy)acetamide

Molecular Formula

C₄H₈ClNO₂

Molecular Weight

137.56 g/mol

InChI Key

KQHRCXCLILUNBX-UHFFFAOYSA-N

1 2D Structure

CAS 36961-64-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(2-chloroethoxy)acetamide

2.1.2 InChI

InChI=1S/C4H8ClNO2/c5-1-2-8-3-4(6)7/h1-3H2,(H2,6,7)

2.1.3 InChI Key

KQHRCXCLILUNBX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(CCl)OCC(=O)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 36961-64-5

2. Acetamide, 2-(2-chloroethoxy)-

3. Mfcd00800223

4. 2-chloroethoxyacetamide

5. 2-chloroethoxy Acetamide

6. (2-chloroethoxy)acetamide

7. 2-(2-chlorethoxy)acetamide

8. 2-(2-chloroethoxy)-acetamide

9. Schembl1405264

10. 2-(2-chloro-ethoxy)-acetamide

11. Dtxsid30452013

12. Amy17904

13. Bcp29906

14. Zinc2569977

15. Akos005068098

16. As-19229

17. Sy007262

18. Db-003889

19. Cs-0149936

20. Ft-0608445

21. F15040

22. 961c645

23. 2-chloroethoxyacetamide Pound>>n-(2-chloroethoxy)-acetamide

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₈ClNO₂
Molecular Weight	137.56 g/mol
XLogP3	-0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	137.0243562 g/mol
Monoisotopic Mass	137.0243562 g/mol
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	76.4
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