CAS 696-62-8

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Also known as: 696-62-8, 1-iodo-4-methoxybenzene, P-iodoanisole, Benzene, 1-iodo-4-methoxy-, Isoform, 4-methoxyiodobenzene

Molecular Formula

C₇H₇IO

Molecular Weight

234.03 g/mol

InChI Key

SYSZENVIJHPFNL-UHFFFAOYSA-N

1 2D Structure

CAS 696-62-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-iodo-4-methoxybenzene

2.1.2 InChI

InChI=1S/C7H7IO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3

2.1.3 InChI Key

SYSZENVIJHPFNL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)I

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Izoform

2.2.2 Depositor-Supplied Synonyms

1. 696-62-8

2. 1-iodo-4-methoxybenzene

3. P-iodoanisole

4. Benzene, 1-iodo-4-methoxy-

5. Isoform

6. 4-methoxyiodobenzene

7. P-methoxyiodobenzene

8. Anisole, P-iodo-

9. 4-iodo-anisole

10. 4-iodomethoxybenzene

11. P-iodophenyl Methyl Ether

12. 1-iodo-4-methoxy-benzene

13. Izoform

14. 4-iodoanisol

15. P-methoxyphenyl Iodide

16. Nsc 60727

17. Mfcd00001056

18. (alpha-d-mannosyl)7-beta-d-mannosyl-diacetylchitobiosyl-l-asparagine, Isoform B (protein)

19. 4-iodoaisole

20. P-iodoanisol

21. 4-iodo-anisol

22. Para-iodo Anisole

23. P-iodomethoxybenzene

24. Einecs 211-798-7

25. Anisole, 4-iodo-

26. P-methoxy Iodobenzene

27. 4-methoxy Iodobenzene

28. 4-methoxy-iodobenzene

29. 4-methoxyphenyl Iodide

30. P-methoxy-phenyl-iodide

31. 4-iodoanisole, 98%

32. 4-iodo-1-methoxybenzene

33. 4-methoxy-1-iodobenzene

34. Para-methoxy Iodo-benzene

35. 1-iodo 4-methoxy-benzene

36. Schembl24567

37. 1-iodo-4-(methyloxy)benzene

38. Dtxsid7061015

39. Chebi:174192

40. Zinc391101

41. Act00265

42. Nsc60727

43. Str08687

44. Nsc-60727

45. Akos000120028

46. Cs-w003965

47. Ac-22937

48. Sy001036

49. 4-iodoanisole, Purum, >=96.0% (gc)

50. Db-024218

51. Am20041028

52. Ft-0618779

53. I0378

54. A19934

55. 4-iodophenyl Methyl Ether, 4-methoxyiodobenzene

56. J-802141

57. W-104609

58. F0001-1808

59. (a-d-mannosyl)7-b-d-mannosyl-diacetylchitobiosyl-l-asparagine, Isoform B (protein)

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₇IO
Molecular Weight	234.03 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	233.95416 g/mol
Monoisotopic Mass	233.95416 g/mol
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	77
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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