CAS 529-28-2

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Also known as: 1-iodo-2-methoxybenzene, 529-28-2, O-iodoanisole, Benzene, 1-iodo-2-methoxy-, Iodoanisole, 2-methoxyiodobenzene

Molecular Formula

C₇H₇IO

Molecular Weight

234.03 g/mol

InChI Key

DVQWNQBEUKXONL-UHFFFAOYSA-N

FDA UNII

75Y5532R8O

1 2D Structure

CAS 529-28-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-iodo-2-methoxybenzene

2.1.2 InChI

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

2.1.3 InChI Key

DVQWNQBEUKXONL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=CC=C1I

2.2 Other Identifiers

2.2.1 UNII

75Y5532R8O

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1-iodo-2-methoxybenzene

2. 529-28-2

3. O-iodoanisole

4. Benzene, 1-iodo-2-methoxy-

5. Iodoanisole

6. 2-methoxyiodobenzene

7. O-anisyl Iodide

8. Anisole, O-iodo-

9. 2-iodophenol Methyl Ether

10. O-methoxyiodobenzene

11. Mfcd00001039

12. Nsc-9259

13. 75y5532r8o

14. 2-iodophenyl Methyl Ether

15. 1-iodo-2-methoxy-benzene

16. Iodanisol

17. 2-iodoanisol

18. Unii-75y5532r8o

19. 2'-iodoanisole

20. Nsc 9259

21. Einecs 208-456-4

22. 2-iodoanisole, 98%

23. O-iodomethoxybenzene

24. C03575

25. O-iodoanisole [mi]

26. 2-iodophenyl Methyl Ether; 2-methoxyiodobenzene

27. O-methoxyphenyl Iodide

28. 2-methoxyphenyl Iodide

29. Schembl245025

30. 2-methoxy-1-iodobenzene

31. Dtxsid1060184

32. Chebi:16355

33. Nsc9259

34. Zinc391100

35. Act07812

36. Str07301

37. Akos009031638

38. Am87037

39. Cs-w009305

40. Sb66474

41. Ac-25985

42. Bp-13158

43. Sy017939

44. Db-024110

45. Ft-0612660

46. I0382

47. A19932

48. N10126

49. W-105786

50. Q27101865

51. F0001-1363

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₇H₇IO
Molecular Weight	234.03 g/mol
XLogP3	2.8
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	85
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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