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CAS 80841-78-7
Also known as: 80841-78-7, 4-chloromethyl-5-methyl-1,3-dioxol-2-one, 4-cloromethyl-5-methyl-1,3-dioxol-2-one, 4-chloromethyl-5-methyl-1,3-dioxolen-2-one, 1,3-dioxol-2-one, 4-(chloromethyl)-5-methyl-, 4-choromethyl-5-methyl-2-oxo-1,3-dioxole
Molecular Formula
C5H5ClO3
Molecular Weight
148.54  g/mol
InChI Key
QCLFSYYUWPUWQR-UHFFFAOYSA-N

1 2D Structure

CAS 80841-78-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(chloromethyl)-5-methyl-1,3-dioxol-2-one
2.1.2 InChI
InChI=1S/C5H5ClO3/c1-3-4(2-6)9-5(7)8-3/h2H2,1H3
2.1.3 InChI Key
QCLFSYYUWPUWQR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(OC(=O)O1)CCl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 80841-78-7

2. 4-chloromethyl-5-methyl-1,3-dioxol-2-one

3. 4-cloromethyl-5-methyl-1,3-dioxol-2-one

4. 4-chloromethyl-5-methyl-1,3-dioxolen-2-one

5. 1,3-dioxol-2-one, 4-(chloromethyl)-5-methyl-

6. 4-choromethyl-5-methyl-2-oxo-1,3-dioxole

7. Mfcd07787494

8. Ec 617-178-6

9. Schembl94170

10. 4-(chloromethyl)-5-methyl-2h-1,3-dioxol-2-one

11. Dtxsid50431805

12. Amy40443

13. Bcp26717

14. Zinc21300263

15. Akos006380113

16. Cs-w019685

17. Sb41032

18. Ac-25864

19. As-10967

20. Sy030049

21. 4-chloromethyl-5methyl-1,3-dioxol-2-one

22. 4-chloromethyl-5-methyl-2-oxo-1,3-dioxole

23. C1882

24. Ft-0600795

25. 4-chloromethyl-5-methyl-[1,3]dioxol-2-one

26. 4-chloromethyl-5-methyl-1,3-dioxolene-2-one

27. 4-chloromethyl-5-methyl-2-oxo-1,3-dioxolene

28. 4-chloromethyl-5-methyl-1,3-dioxol-2-one, 97%

29. 841c787

30. (5-methyl-2-oxo-1,3-dioxolen-4-yl)methyl Chloride

31. J-513698

32. (5-methyl -2-oxo-1,3-dioxolen-4-yl)methyl Chloride

33. 4-cloromethyl-5-methyl-1,3-dioxol-2-one (dmdo-cl)

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 148.54 g/mol
Molecular Formula C5H5ClO3
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass147.9927217 g/mol
Monoisotopic Mass147.9927217 g/mol
Topological Polar Surface Area35.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity173
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Digital Content Digital Content
URL Supplier Web Content
80841-78-7
We believe in attaining the highest levels of customer satisfaction and social welfare with the philosoph...
We believe in attaining the highest levels of customer satisfaction and social welfare with the philosophy of keeping first things first. Our systematic interventions keeping abreast of new and emerging technologies consistently help us meet and exceed quality standards with significant innovations. At LifeFirst, we strive to maintain our goodwill as one of the key partners of choice with the reputation of delivering consistently high-quality products to the pharmaceutical industry. After all, our fundamental philosophy is to offer unrelenting care and cure worldwide with our innovations.
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