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CAS 1878-67-7
PharmaCompass
  • Chemistry
CAS 1878-67-7
Also known as: 1878-67-7, 2-(3-bromophenyl)acetic acid, (3-bromophenyl)acetic acid, M-bromophenylacetic acid, Benzeneacetic acid, 3-bromo-, 3-bromophenylaceticacid
Molecular Formula
C8H7BrO2
Molecular Weight
215.046  g/mol
InChI Key
KYNNBXCGXUOREX-UHFFFAOYSA-N

1 2D Structure

CAS 1878-67-7

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

1. 1878-67-7

2. 2-(3-bromophenyl)acetic Acid

3. (3-bromophenyl)acetic Acid

4. M-bromophenylacetic Acid

5. Benzeneacetic Acid, 3-bromo-

6. 3-bromophenylaceticacid

7. 3-bromo-phenylacetic Acid

8. 3-bromophenyl Acetic Acid

9. 3-bromphenylacetic Acid

10. Kynnbxcgxuorex-uhfffaoysa-n

11. Mfcd00004330

12. St085768

13. Einecs 217-522-1

14. Pubchem4244

15. Acmc-1cinu

16. Ac1l2mdf

17. M-bromo Phenylacetic Acid

18. 3-bromobenzeneacetic Acid

19. Meta-bromophenylacetic Acid

20. 3-bromo-phenyl Acetic Acid

21. 3-bromo-phenyl-acetic Acid

22. Ac1q25tb

23. Ac1q74wf

24. Benzeneaceticacid, 3-bromo-

25. (3-bromo-phenyl)acetic Acid

26. (3-bromophenyl) Acetic Acid

27. Schembl78652

28. Ksc175c4l

29. Chembl139276

30. 2-(3-bromophenyl) Acetic Acid

31. Jsp003853

32. Rarechem Al Bo 0120

33. 3-bromophenylacetic Acid, 98%

34. Dtxsid0075152

35. Ctk0h5145

36. Ks-00000cfp

37. Kynnbxcgxuorex-uhfffaoysa-

38. Timtec-bb Sbb037935

39. 2-(3-bromo-phenyl)-acetic Acid

40. Molport-000-150-267

41. Zinc156261

42. Act01192

43. Anw-23361

44. Cb-192

45. Sbb037935

46. Wt1668

47. 1878-67-7 M-bromophenylacetic Acid

48. Akos000142259

49. Ab00359

50. Am62273

51. An-6259

52. As00508

53. Cs-w004766

54. Ebd2217506

55. Mcule-2691472298

56. Ps-4772

57. Rp04937

58. Rtc-062289

59. Tra0051881

60. Vz26514

61. Otava-bb 7020330574

62. Ac-16343

63. Aj-13752

64. Ak-42053

65. Bc002737

66. Bc210255

67. Br-42053

68. Fs000812

69. Kb-30645

70. Sc-02019

71. Sy004367

72. Tl806174

73. Ab0008306

74. Ab1003591

75. Db-022393

76. St2409295

77. Tc-062289

78. Bg01520855

79. Ft-0615238

80. En300-59283

81. A21774

82. C-4557

83. 878b677

84. Ae-562/43460499

85. I01-0944

86. W-107765

87. F0001-0674

88. Z1259041060

89. 2-(3-bromophenyl)acetic Acid;benzeneacetic Acid, 3-bromo-

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

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 215.046 g/mol
Molecular Formula C8H7BrO2
XLogP32.4
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
Complexity147
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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