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2D Structure
Also known as: 1878-68-8, 2-(4-bromophenyl)acetic acid, (4-bromophenyl)acetic acid, P-bromophenylacetic acid, 4-bromophenyl acetic acid, 4-bromobenzeneacetic acid
Molecular Formula
C8H7BrO2
Molecular Weight
215.04  g/mol
InChI Key
QOWSWEBLNVACCL-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(4-bromophenyl)acetic acid
2.1.2 InChI
InChI=1S/C8H7BrO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
2.1.3 InChI Key
QOWSWEBLNVACCL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1CC(=O)O)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1878-68-8

2. 2-(4-bromophenyl)acetic Acid

3. (4-bromophenyl)acetic Acid

4. P-bromophenylacetic Acid

5. 4-bromophenyl Acetic Acid

6. 4-bromobenzeneacetic Acid

7. Benzeneacetic Acid, 4-bromo-

8. (p-bromophenyl)acetic Acid

9. 4-bromophenylaceticacid

10. Mfcd00004342

11. Acetic Acid, (p-bromophenyl)-

12. 4-bromo-phenyl-acetic Acid

13. P-bromphenylessigsaure

14. P-bromphenylessigsaure [german]

15. Acide P-bromophenylacetique [french]

16. Einecs 217-523-7

17. Nsc 14358

18. Acide P-bromophenylacetique

19. Brn 0972146

20. 4bromophenylacetic Acid

21. 4-bromo-phenylacetic Acid

22. 4-bromophenyl-acetic Acid

23. 4-bromo-benzeneacetic Acid

24. 4-bromo Phenyl Acetic Acid

25. 4-bromo-phenyl Acetic Acid

26. (4-bromophenyl)-acetic Acid

27. Schembl29257

28. 3-09-00-02275 (beilstein Handbook Reference)

29. 4-bromophenylacetic Acid Acid

30. (4-bromo-phenyl)-acetic Acid

31. Chebi:1790

32. 4-bromophenylacetic Acid, 98%

33. Dtxsid2062032

34. Hms1788p11

35. Zinc167159

36. Act01177

37. Cs-d0933

38. Nsc14358

39. Str02794

40. Nsc-14358

41. Stl061090

42. Akos000150899

43. Ab00367

44. Ac-4183

45. Am86716

46. Ccg-255918

47. Ps-4698

48. Sy001685

49. Ft-0617912

50. A21790

51. C03076

52. P16509

53. W-107764

54. Q27105508

55. F2191-0031

56. (p-bromophenyl)-aceticaci;aceticacid,(p-bromophenyl)-;benzeneacetic Acid, 4-bromo-

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 215.04 g/mol
Molecular Formula C8H7BrO2
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass213.96294 g/mol
Monoisotopic Mass213.96294 g/mol
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity139
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1