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Also known as: 540-37-4, P-iodoaniline, Benzenamine, 4-iodo-, 4-iodobenzenamine, Aniline, p-iodo-, P-aminophenyl iodide
Molecular Formula
C6H6IN
Molecular Weight
219.02  g/mol
InChI Key
VLVCDUSVTXIWGW-UHFFFAOYSA-N
FDA UNII
0BMK56397B

CAS 540-37-4
1 2D Structure

CAS 540-37-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-iodoaniline
2.1.2 InChI
InChI=1S/C6H6IN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
2.1.3 InChI Key
VLVCDUSVTXIWGW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1N)I
2.2 Other Identifiers
2.2.1 UNII
0BMK56397B
2.3 Synonyms
2.3.1 MeSH Synonyms

1. P-iodoaniline

2.3.2 Depositor-Supplied Synonyms

1. 540-37-4

2. P-iodoaniline

3. Benzenamine, 4-iodo-

4. 4-iodobenzenamine

5. Aniline, P-iodo-

6. P-aminophenyl Iodide

7. Aniline, 4-iodo-

8. 4-iodo-aniline

9. 4-iodophenylamine

10. 4-iodobenzeneamine

11. 4-iodo-phenylamine

12. Mfcd00007848

13. 0bmk56397b

14. Nsc-9246

15. 4-iodo-benzenamine

16. Ccris 9122

17. Nsc 9246

18. Einecs 208-743-4

19. Unii-0bmk56397b

20. P-iodo-aniline

21. P-iodo Aniline

22. 4-iodanylaniline

23. 4-iodoaniline?

24. (4-iodophenyl)-amine

25. Para-amino-iodo-benzene

26. 4-iodoaniline, 98%

27. Iodoaniline, P-

28. P-aminoiodobenzene

29. 1-amino-4-iodo-benzene

30. Wln: Zr Di

31. P-iodoaniline [mi]

32. Schembl25837

33. Chembl41790

34. Dtxsid9060239

35. Vlvcdusvtxiwgw-uhfffaoysa-

36. Zinc13615

37. 2-hydroxy-3-phenyl Propiophenone

38. Nsc9246

39. Act00167

40. Bcp23259

41. Stk358767

42. Akos000119850

43. Ac-5104

44. Cs-w008946

45. Ps-5431

46. Bp-20434

47. Sy013885

48. 4-iodoaniline, Purum, >=97.0% (nt)

49. Db-014488

50. A7856

51. Am20040674

52. Ft-0618776

53. I0048

54. D70848

55. Ab01003215-01

56. A829920

57. Q-103463

58. Q27236574

59. F0001-1412

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 219.02 g/mol
Molecular Formula C6H6IN
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass218.95450 g/mol
Monoisotopic Mass218.95450 g/mol
Topological Polar Surface Area26 Ų
Heavy Atom Count8
Formal Charge0
Complexity66.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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