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Overview of CAS 6307-83-1

Client Email Product
4CH-013572
PharmaCompass
  • Chemistry
4CH-013572
Also known as: 6307-83-1, 5-bromo-3-nitrobenzoic acid, Benzoic acid, 3-bromo-5-nitro-, 3-bromo-5-nitro-benzoic acid, Sbb064467, 3-bromo-5-nitrobenzoicacid
Molecular Formula
C7H4BrNO4
Molecular Weight
246.016  g/mol
InChI Key
AXRKIZCFYZBBPX-UHFFFAOYSA-N

1 2D Structure

4CH-013572

2 Identification
2.1 Computed Descriptors
2.1.1 InChI
InChI=1S/C7H4BrNO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,(H,10,11)
2.1.2 InChI Key
AXRKIZCFYZBBPX-UHFFFAOYSA-N
2.1.3 Canonical SMILES
C1=C(C=C(C=C1[N+](=O)[O-])Br)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 6307-83-1

2. 5-bromo-3-nitrobenzoic Acid

3. Benzoic Acid, 3-bromo-5-nitro-

4. 3-bromo-5-nitro-benzoic Acid

5. Sbb064467

6. 3-bromo-5-nitrobenzoicacid

7. Nsc44288

8. Pubchem4734

9. Acmc-209ncw

10. Ac1q5akm

11. Ac1l62wr

12. Schembl91278

13. Ksc357s4t

14. 3-bromo-5-nitro Benzoic Acid

15. Ctk2f7949

16. Dtxsid00286226

17. Axrkizcfyzbbpx-uhfffaoysa-n

18. Molport-001-769-299

19. Act07921

20. Albb-016126

21. Ks-000004zf

22. Zinc1676676

23. Anw-34542

24. Mfcd00100098

25. Nsc-44288

26. Stk366076

27. Td1363

28. Akos005442409

29. Ab03379

30. Ac-3918

31. Acn-050214

32. As01813

33. Cb-1989

34. Cs-w002370

35. Ls10261

36. Mcule-7470974821

37. Ps-5484

38. Qc-1599

39. Rp28720

40. Rtr-021731

41. Tra0023178

42. Aj-29451

43. Ak-30072

44. An-12471

45. Bc002823

46. Br-30072

47. Kb-30453

48. Sy007508

49. Ab0008451

50. Db-000179

51. St2410553

52. Tr-021731

53. 4ch-013572

54. Am20040909

55. Ft-0615182

56. St50408840

57. Tl80090598

58. S-1697

59. 307b831

60. I01-4915

61. J-512048

62. Z1741971535

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 246.016 g/mol
Molecular Formula C7H4BrNO4
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass244.932 g/mol
Monoisotopic Mass244.932 g/mol
Topological Polar Surface Area83.1 A^2
Heavy Atom Count13
Formal Charge0
Complexity227
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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