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CAS 188815-32-9
PharmaCompass
  • Chemistry
CAS 188815-32-9
Also known as: 188815-32-9, 5-bromo-3-iodobenzoic acid, 3-bromo-5-iodo-benzoic acid, 3-bromo-5-iodobenzoicacid, Benzoic acid, 3-bromo-5-iodo-, 3-iodo-5-bromobenzoic acid
Molecular Formula
C7H4BrIO2
Molecular Weight
326.915  g/mol
InChI Key
MKJBJYCBKXPQSY-UHFFFAOYSA-N

1 2D Structure

CAS 188815-32-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-bromo-5-iodobenzoic acid
2.1.2 InChI
InChI=1S/C7H4BrIO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
2.1.3 InChI Key
MKJBJYCBKXPQSY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(C=C(C=C1Br)I)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 188815-32-9

2. 5-bromo-3-iodobenzoic Acid

3. 3-bromo-5-iodo-benzoic Acid

4. 3-bromo-5-iodobenzoicacid

5. Benzoic Acid, 3-bromo-5-iodo-

6. 3-iodo-5-bromobenzoic Acid

7. Sbb063057

8. Pubchem3788

9. Ac1nponj

10. Acmc-209erv

11. 3-bromo-5-iodobenzoic Aicd

12. 3-bromo-5-iodo Benzoic Acid

13. 5-iodo-3-bromo-benzoic Acid

14. Ksc497i3j

15. Schembl200827

16. Jsp003876

17. Ctk3j7434

18. Dtxsid90409240

19. Mkjbjycbkxpqsy-uhfffaoysa-n

20. Molport-001-768-367

21. Wt038

22. Zinc156377

23. 3-bromo-5-iodobenzoic Acid, 97%

24. Act00921

25. Ks-00000cl8

26. Anw-23417

27. Mfcd00191851

28. Akos005256962

29. Ab04625

30. Ac-3914

31. As03365

32. Cb-1190

33. Cm12519

34. Ls10332

35. Mcule-9507697210

36. Ps-7026

37. Rtr-008749

38. Tra0062728

39. Vz26477

40. Aj-13784

41. Ak-33873

42. An-12467

43. Bc002593

44. Br-33873

45. Kb-30403

46. Q421

47. Sc-46702

48. Sy008050

49. Ab0017575

50. Ab1003308

51. Db-008836

52. St2404961

53. Tl8007063

54. Tr-008749

55. A4174

56. Ft-0081316

57. Ft-0615179

58. St51007238

59. 188815-32-9 3-bromo-5-iodobenzoic Acid

60. M-1181

61. I01-0236

62. J-512024

63. Z2065464170

64. Inchi=1/c7h4brio2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3h,(h,10,11

2.3 Create Date
2005-09-26
3 Chemical and Physical Properties
Molecular Weight 326.915 g/mol
Molecular Formula C7H4BrIO2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass325.844 g/mol
Monoisotopic Mass325.844 g/mol
Topological Polar Surface Area37.3 A^2
Heavy Atom Count11
Formal Charge0
Complexity163
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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