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CAS 1878-68-8
PharmaCompass
CAS 1878-68-8
Also known as: 1878-68-8, 2-(4-bromophenyl)acetic acid, 4-bromophenyl acetic acid, (4-bromophenyl)acetic acid, P-bromophenylacetic acid, 4-bromobenzeneacetic acid
Molecular Formula
C8H7BrO2
Molecular Weight
215.046  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. (4-bromophenyl)acetic Acid

5. P-bromophenylacetic Acid

6. 4-bromobenzeneacetic Acid

7. Benzeneacetic Acid, 4-bromo-

8. C8h7bro2

9. (p-bromophenyl)acetic Acid

10. Acetic Acid, (p-bromophenyl)-

11. P-bromphenylessigsaure [german]

12. Acide P-bromophenylacetique [french]

13. Einecs 217-523-7

14. Nsc 14358

15. 4-bromo-phenyl-acetic Acid

16. Brn 0972146

17. Qowsweblnvaccl-uhfffaoysa-n

18. Mfcd00004342

19. Sbb042842

20. P-bromphenylessigsaure

21. Acide P-bromophenylacetique

22. Pubchem4246

23. 4-bromophenylaceticacid

24. 4bromophenylacetic Acid

25. Ac1l2mdi

26. 4-bromo-phenylacetic Acid

27. 4-bromophenyl-acetic Acid

28. Acmc-1ch1q

29. 4-bromo-benzeneacetic Acid

30. 4-bromo Phenyl Acetic Acid

31. 4-bromo-phenyl Acetic Acid

32. Asischem D13369

33. Benzeneaceticacid, 4-bromo-

34. (4-bromophenyl)-acetic Acid

35. Schembl29257

36. 3-09-00-02275 (beilstein Handbook Reference)

37. 4-bromophenylacetic Acid Acid

38. Ksc175s1n

39. (4-bromo-phenyl)-acetic Acid

40. Ac1q74x5

41. Chebi:1790

42. Rarechem Al Bo 0130

43. 4-bromophenylacetic Acid, 98%

44. Dtxsid2062032

45. Ctk0h5916

46. Timtec-bb Sbb042842

47. Molport-000-146-936

48. Otava-bb 1287087

49. Hms1788p11

50. Wt282

51. Zinc167159

52. Act01177

53. Cs-d0933

54. Nsc14358

55. Str02794

56. Akos Bbs-00007001

57. Anw-23362

58. Bbl013908

59. Hts001484

60. Nsc-14358

61. Stl061090

62. Akos000150899

63. 1878-68-8 4-bromophenylacetic Acid

64. Ab00367

65. Ac-4183

66. Am86716

67. An-1083

68. As00507

69. Ccg-255918

70. Ls10304

71. Mcule-8300414581

72. Ps-4698

73. Rp26872

74. Rtr-008690

75. Tra0091438

76. Aj-16609

77. Ak-45378

78. Bc002738

79. Bc203407

80. Br-45378

81. Kb-37441

82. Ls-11168

83. Or004892

84. Sc-02020

85. Sy001685

86. Ab1003219

87. St2418223

88. Tl8001523

89. Tr-008690

90. Ft-0617912

91. St50308544

92. A21790

93. C-4559

94. C03076

95. I01-0865

96. W-107764

97. F2191-0031

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

99. Inchi=1/c8h7bro2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4h,5h2,(h,10,11

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 215.046 g/mol
Molecular Formula C8H7BrO2
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass213.963 g/mol
Monoisotopic Mass213.963 g/mol
Topological Polar Surface Area37.3 A^2
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
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