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2D Structure
Also known as: 1-iodo-4-methylbenzene, 624-31-7, P-iodotoluene, Benzene, 1-iodo-4-methyl-, P-methyliodobenzene, Toluene, p-iodo-
Molecular Formula
C7H7I
Molecular Weight
218.03  g/mol
InChI Key
UDHAWRUAECEBHC-UHFFFAOYSA-N
FDA UNII
G75KCN1AM8

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-iodo-4-methylbenzene
2.1.2 InChI
InChI=1S/C7H7I/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
2.1.3 InChI Key
UDHAWRUAECEBHC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC=C(C=C1)I
2.2 Other Identifiers
2.2.1 UNII
G75KCN1AM8
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 3-iodotoluene

2. M-iodotoluene

3. Meta-iodotoluene

4. O-iodotoluene

5. P-iodotoluene

2.3.2 Depositor-Supplied Synonyms

1. 1-iodo-4-methylbenzene

2. 624-31-7

3. P-iodotoluene

4. Benzene, 1-iodo-4-methyl-

5. P-methyliodobenzene

6. Toluene, P-iodo-

7. P-tolyl Iodide

8. 1-methyl-4-iodobenzene

9. 4-methyliodobenzene

10. 1-iodo-4-methyl-benzene

11. Mfcd00001059

12. G75kcn1am8

13. Nsc-3776

14. Unii-g75kcn1am8

15. P-tolyliodide

16. P-iodo Toluene

17. 4-iodo Toluene

18. 4-iodotoluene?

19. Nsc3776

20. 4-iodophenylmethane

21. Nsc 3776

22. Xqm

23. Einecs 210-841-7

24. 4-methyl-iodobenzene

25. Iodo-4-methylbenzene

26. Para Iodotoluene

27. 4-iodotoluene, 99%

28. Iodotoluene, P-

29. 4-iodo-toluene

30. Ai3-16899

31. P-iodomethylbenzene

32. Schembl158

33. 4-iodomethylbenzene

34. 1-(iodo)-4-methylbenzene

35. P-methylphenyl Iodide

36. 4-methylphenyl Iodide

37. 4-methyl-1-iodobenzene

38. Dtxsid4060785

39. Act13438

40. Zinc1003750

41. Stk122188

42. Akos000495264

43. 1-iodo-4-methylbenzene; P-iodotoluene

44. Am87101

45. Cs-w009210

46. Ac-25936

47. As-11887

48. Bp-21474

49. Sy001711

50. 4-iodotoluene, Purum, >=98.0% (gc)

51. Db-014493

52. Ft-0618806

53. I0218

54. A19670

55. D70830

56. An-329/42288686

57. J-504805

58. Q27278877

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 218.03 g/mol
Molecular Formula C7H7I
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass217.95925 g/mol
Monoisotopic Mass217.95925 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity62.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1