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2D Structure
Also known as: 49715-04-0, Chloromethyl chlorosulphate, Chloro(chlorosulfonyloxy)methane, Chloromethylchlorosulfate, Chloromethyl chlorosulfonate, Chlorosulfuric acid, chloromethyl ester
Molecular Formula
CH2Cl2O3S
Molecular Weight
165.00  g/mol
InChI Key
PJBIHXWYDMFGCV-UHFFFAOYSA-N
FDA UNII
N615783BNF

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
chloro(chlorosulfonyloxy)methane
2.1.2 InChI
InChI=1S/CH2Cl2O3S/c2-1-6-7(3,4)5/h1H2
2.1.3 InChI Key
PJBIHXWYDMFGCV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(OS(=O)(=O)Cl)Cl
2.2 Other Identifiers
2.2.1 UNII
N615783BNF
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Cmcs Cpd

2.3.2 Depositor-Supplied Synonyms

1. 49715-04-0

2. Chloromethyl Chlorosulphate

3. Chloro(chlorosulfonyloxy)methane

4. Chloromethylchlorosulfate

5. Chloromethyl Chlorosulfonate

6. Chlorosulfuric Acid, Chloromethyl Ester

7. Chloromethyl Sulfochloridate

8. Chlorosulfuric Acid Chloromethyl Ester

9. N615783bnf

10. Chloromethoxysulfonyl Chloride

11. Unii-n615783bnf

12. Einecs 256-442-1

13. Clch2oso2cl

14. Chloromethylchlorosulphate

15. Chloromethylchlorosulfonate

16. Chloromethyl-chlorosulfonate

17. Ec 256-442-1

18. Schembl63094

19. Chloromethyl Chlorosulfate, 97%

20. Dtxsid70197991

21. Act02782

22. Chloromethyl Sulfurochloridate

23. Am1030

24. Bbl102865

25. Cl4517

26. Mfcd00041547

27. Stl556673

28. Zinc80022077

29. Akos005762932

30. Chlorosulfonic Acid Chloromethyl Ester

31. Chloridosulfuric Acid Chloromethyl Ester

32. Chloromethyl Chlorosulfate [mi]

33. As-15039

34. Ft-0623679

35. 715c040

36. J-520036

37. Q27284597

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 165.00 g/mol
Molecular Formula CH2Cl2O3S
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass163.9101705 g/mol
Monoisotopic Mass163.9101705 g/mol
Topological Polar Surface Area51.8 Ų
Heavy Atom Count7
Formal Charge0
Complexity120
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1