CAS 1878-68-8

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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

CAS 1878-68-8

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 Formula	C₈H₇BrO₂
Molecular Weight	215.04 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	213.96294 g/mol
Monoisotopic Mass	213.96294 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	139
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1