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Chemistry

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Also known as: 3-bromopropionyl chloride, 15486-96-1, 3-bromopropanoyl chloride, Einecs 239-515-2, Dtxsid3065900, Refchem:869598
Molecular Formula
C3H4BrClO
Molecular Weight
171.42  g/mol
InChI Key
IHBVNSPHKMCPST-UHFFFAOYSA-N

B2065
1 2D Structure

B2065

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-bromopropanoyl chloride
2.1.2 InChI
InChI=1S/C3H4BrClO/c4-2-1-3(5)6/h1-2H2
2.1.3 InChI Key
IHBVNSPHKMCPST-UHFFFAOYSA-N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 3-bromopropionyl Chloride

2. 15486-96-1

3. 3-bromopropanoyl Chloride

4. Einecs 239-515-2

5. Dtxsid3065900

6. Refchem:869598

7. Dtxcid0034988

8. 239-515-2

9. Mfcd00000746

10. 3-bromopropionic Acid Chloride

11. 3-bromopropanoyl Chloride; 3-bromopropanoic Acid Chloride; Beta-bromopropanoyl Chloride; ?-bromopropanoyl Chloride; Beta-bromopropionyl Chloride

12. 3-bromoproionylchloride

13. 3-bromopropanoylchloride

14. 3-bromopropionylchloride

15. 3-bromo Propionylchloride

16. 3-bromopropionic Chloride

17. 3-bromopropionoyl Chloride

18. 3-bromo-propanoyl Chloride

19. 3-bromo-propionyl Chloride

20. Beta-bromopropionyl Chloride

21. 3-bromopropanoyl Chloride #

22. Schembl34044

23. .beta.-bromopropionyl Chloride

24. Bbl011521

25. Stl146637

26. Akos005720747

27. Sy035526

28. Vs-02968

29. 3-bromopropionyl Chloride, Technical Grade

30. Db-043248

31. B2065

32. Ns00025032

33. D88890

34. En300-132996

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 171.42 g/mol
Molecular Formula C3H4BrClO
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area17.1
Heavy Atom Count6
Formal Charge0
Complexity54.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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