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2D Structure
Also known as: Decyl bromide, 112-29-8, N-decyl bromide, Decane, 1-bromo-, 1-decyl bromide, Decane, bromo-
Molecular Formula
C10H21Br
Molecular Weight
221.18  g/mol
InChI Key
MYMSJFSOOQERIO-UHFFFAOYSA-N
FDA UNII
Y2JDF9ZCB6

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-bromodecane
2.1.2 InChI
InChI=1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3
2.1.3 InChI Key
MYMSJFSOOQERIO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCCCCCCBr
2.2 Other Identifiers
2.2.1 UNII
Y2JDF9ZCB6
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Decyl Bromide

2.3.2 Depositor-Supplied Synonyms

1. Decyl Bromide

2. 112-29-8

3. N-decyl Bromide

4. Decane, 1-bromo-

5. 1-decyl Bromide

6. Decane, Bromo-

7. 1-bromo-decane

8. Decylbromide

9. Y2jdf9zcb6

10. Nsc-8780

11. Bromodecane

12. Nsc 8780

13. Einecs 203-955-3

14. Decylmonobromide

15. N-decylbromide

16. Ai3-28586

17. Decyl Monobromide

18. 1-bromo-n-decane

19. Mfcd00000221

20. 1-bromodecane, 98%

21. Unii-y2jdf9zcb6

22. Ec 203-955-3

23. Dsstox_cid_30133

24. Dsstox_gsid_51581

25. Schembl33325

26. Chembl3559832

27. Dtxsid9051581

28. Nsc8780

29. Bcp28226

30. Zinc1648226

31. Tox21_303974

32. Bbl011376

33. Stl146474

34. Akos005720976

35. Ncgc00357198-01

36. Cas-112-29-8

37. Vs-02933

38. 1-bromodecane, Purum, >=97.0% (gc)

39. B0583

40. Ft-0607525

41. Q-200114

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 221.18 g/mol
Molecular Formula C10H21Br
XLogP36
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count8
Exact Mass220.08266 g/mol
Monoisotopic Mass220.08266 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count11
Formal Charge0
Complexity61.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1