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Also known as: 615-43-0, O-iodoaniline, 2-iodobenzenamine, Benzenamine, 2-iodo-, 2-iodo aniline, O-aminoiodobenzene
Molecular Formula
C6H6IN
Molecular Weight
219.02  g/mol
InChI Key
UBPDKIDWEADHPP-UHFFFAOYSA-N

CAS 615-43-0
1 2D Structure

CAS 615-43-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-iodoaniline
2.1.2 InChI
InChI=1S/C6H6IN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
2.1.3 InChI Key
UBPDKIDWEADHPP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C(=C1)N)I
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 2-iodobenzenamine

2.2.2 Depositor-Supplied Synonyms

1. 615-43-0

2. O-iodoaniline

3. 2-iodobenzenamine

4. Benzenamine, 2-iodo-

5. 2-iodo Aniline

6. O-aminoiodobenzene

7. Aniline, O-iodo-

8. Aniline, 2-iodo-

9. Benzenamine, Iodo-

10. Mfcd00007680

11. 2-iodo-phenylamine

12. Nsc34544

13. Nsc 34544

14. Nsc-34544

15. 2-iodaniline

16. 2-iodo-aniline

17. O-iodophenyl Amine

18. Einecs 210-426-0

19. 2-iodoaniline, 98%

20. Ai3-00493

21. Schembl74028

22. Dtxsid5060649

23. Zinc157582

24. Act07811

25. Bbl011389

26. Stl146491

27. Akos000119174

28. Nsc34544nsc 34544

29. O-iodoaniline; 1-amino-2-iodobenzene

30. Ac-1253

31. Cs-w007318

32. Hy-w007318

33. Ps-4064

34. Sy005096

35. 2-iodoaniline, Purum, >=98.0% (gc)

36. Db-006169

37. Am20040864

38. Ft-0601338

39. I0046

40. 15i430

41. A19769

42. Ah-034/32850056

43. J-802087

44. W-105136

45. F3284-8050

46. Z219997432

2.3 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
Complexity74.9
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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