CAS-112-29-8

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CHEMISTRY

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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

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 Formula	C₁₀H₂₁Br
Molecular Weight	221.18 g/mol
XLogP3	6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	8
Exact Mass	220.08266 g/mol
Monoisotopic Mass	220.08266 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	61.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1