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CAS 2052-01-9 manufacturers and suppliers on PharmaCompass

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CAS 2052-01-9
Also known as: 2052-01-9, 2-bromo-2-methylpropionic acid, 2-bromoisobutyric acid, Propanoic acid, 2-bromo-2-methyl-, Isobromobutyric acid, Alpha-bromoisobutyric acid
Molecular Formula
C4H7BrO2
Molecular Weight
167.00  g/mol
InChI Key
XXSPGBOGLXKMDU-UHFFFAOYSA-N
FDA UNII
821P2R6B0A

1 2D Structure

CAS 2052-01-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-bromo-2-methylpropanoic acid
2.1.2 InChI
InChI=1S/C4H7BrO2/c1-4(2,5)3(6)7/h1-2H3,(H,6,7)
2.1.3 InChI Key
XXSPGBOGLXKMDU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C(=O)O)Br
2.2 Other Identifiers
2.2.1 UNII
821P2R6B0A
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2052-01-9

2. 2-bromo-2-methylpropionic Acid

3. 2-bromoisobutyric Acid

4. Propanoic Acid, 2-bromo-2-methyl-

5. Isobromobutyric Acid

6. Alpha-bromoisobutyric Acid

7. .alpha.-bromoisobutyric Acid

8. 2-bromo-2-methyl-propanoic Acid

9. Propionic Acid, 2-bromo-2-methyl-

10. Alpha-bromoisobutyricacid

11. Mfcd00004168

12. 821p2r6b0a

13. Nsc-41213

14. 2-bromo-2-methyl-d3-propionic-3,3,3-d3 Acid

15. Ccris 9046

16. Bromoisobutyric Acid

17. Einecs 218-139-2

18. Nsc 41213

19. Bromo-isobutyric Acid

20. Alpha-bromo-alpha-methylpropionic Acid

21. 2-bromo-iso-butyric Acid

22. Schembl138469

23. Unii-821p2r6b0a

24. 2-methyl-2-bromopropionic Acid

25. 3-(3-hydroxyphenyl)benzoicacid

26. 2-bromo-2-methylproprionic Acid

27. Dtxsid8062151

28. Xxspgboglxkmdu-uhfffaoysa-

29. Nsc41213

30. Stl268877

31. Akos015841143

32. 2-bromo-2-methylpropionic Acid, 98%

33. Cs-w017850

34. As-13185

35. Bromo-2-methylpropionic Acid, 2-

36. .alpha.-bromoisobutyric Acid [mi]

37. .alpha.-bromo-.alpha.-methylpropionic Acid

38. Db-020589

39. Am20090161

40. B0605

41. Ft-0611570

42. En300-95625

43. Alpha-bromoisobutyric Acid, Purum, >=98.0% (gc)

44. W-107612

45. Q27269291

46. B2p

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 167.00 g/mol
Molecular Formula C4H7BrO2
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area37.3
Heavy Atom Count7
Formal Charge0
Complexity87.7
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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