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2D Structure
Also known as: 3355-28-0, 1-bromobut-2-yne, 2-butyne, 1-bromo-, 2-butynyl bromide, 1-bromo-but-2-yne, Bromo-2-butyne
Molecular Formula
C4H5Br
Molecular Weight
132.99  g/mol
InChI Key
LNNXOEHOXSYWLD-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-bromobut-2-yne
2.1.2 InChI
InChI=1S/C4H5Br/c1-2-3-4-5/h4H2,1H3
2.1.3 InChI Key
LNNXOEHOXSYWLD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC#CCBr
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 3355-28-0

2. 1-bromobut-2-yne

3. 2-butyne, 1-bromo-

4. 2-butynyl Bromide

5. 1-bromo-but-2-yne

6. Bromo-2-butyne

7. 1-bromo2-butyne

8. But-2-ynylbromide

9. L-bromo-2-butine

10. 1-bromo-2-butine

11. 4-bromo-2-butyne

12. But-2-ynyl Bromide

13. Schembl41298

14. 1-bromo-2-butyne, 99%

15. Amy1227

16. Dtxsid10373595

17. Act08918

18. Bcp17711

19. Zinc2556446

20. Bbl103446

21. Mfcd00190233

22. Stl557256

23. Akos005256637

24. Ab91641

25. As-20130

26. Db-019062

27. Ft-0634801

28. En300-61875

29. 355b280

30. A821831

31. J-504388

32. F0001-0987

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 132.99 g/mol
Molecular Formula C4H5Br
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass131.95746 g/mol
Monoisotopic Mass131.95746 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count5
Formal Charge0
Complexity62.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1