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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

CAS 112-29-8
1 2D Structure

CAS 112-29-8

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

BUILDING BLOCK

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