Please Wait
Applying Filters...
Menu
Xls
2D Structure
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

1 2D Structure

2D Structure

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