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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

CAS 3355-28-0
1 2D Structure

CAS 3355-28-0

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

BUILDING BLOCK

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