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2D Structure
Also known as: 29882-07-3, 4-chlorobutanal dimethyl acetal, 4-chlorobutyraldehyde dimethyl acetal, 4-chlorobutanal dimethyl acetal 90%, 4-chlorobutanal dimethyl acetal 90per cent, Mfcd09032953
Molecular Formula
C6H13ClO2
Molecular Weight
152.62  g/mol
InChI Key
LTLKJYMNUSSFAH-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-chloro-1,1-dimethoxybutane
2.1.2 InChI
InChI=1S/C6H13ClO2/c1-8-6(9-2)4-3-5-7/h6H,3-5H2,1-2H3
2.1.3 InChI Key
LTLKJYMNUSSFAH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC(CCCCl)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 29882-07-3

2. 4-chlorobutanal Dimethyl Acetal

3. 4-chlorobutyraldehyde Dimethyl Acetal

4. 4-chlorobutanal Dimethyl Acetal 90%

5. 4-chlorobutanal Dimethyl Acetal 90per Cent

6. Mfcd09032953

7. Einecs 249-924-8

8. 4-chloro Butanal Dimethyl Acetal

9. Butane, 4-chloro-1,1-dimethoxy-

10. 4-chlorobutanal Dimethylacetal

11. 1,1-dimethoxy-4-chlorobutane

12. Schembl1769976

13. Dtxsid30184004

14. Act03057

15. Amy10392

16. Zinc5997614

17. Akos006343270

18. Ac-2017

19. Cs-w008139

20. As-15841

21. Db-028827

22. 4-chloro Butyaldehyde Dimethyl Acetal

23. Ft-0638887

24. 882c073

25. Q-101939

26. 4-chloro-1,1-dimethoxybutane;4-chlorobutanal Dimethyl Acetal

27. 4-chloro-1,1-dimethoxybutane (4-chlorobutyraldehyde Dimethyl Acetal)

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 152.62 g/mol
Molecular Formula C6H13ClO2
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass152.0604073 g/mol
Monoisotopic Mass152.0604073 g/mol
Topological Polar Surface Area18.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity55
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1