CAS 83863-33-6

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Also known as: 83863-33-6, 2-amino-4-iodotoluene, 5-iodo-o-toluidine, Benzenamine, 5-iodo-2-methyl-, 5-iodo-2-methyl-phenylamine, 5-iodo-2-methylbenzenamine

Molecular Formula

C₇H₈IN

Molecular Weight

233.05 g/mol

InChI Key

IOEHXNCBPIBDBZ-UHFFFAOYSA-N

1 2D Structure

CAS 83863-33-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-iodo-2-methylaniline

2.1.2 InChI

InChI=1S/C7H8IN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3

2.1.3 InChI Key

IOEHXNCBPIBDBZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=C(C=C1)I)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 83863-33-6

2. 2-amino-4-iodotoluene

3. 5-iodo-o-toluidine

4. Benzenamine, 5-iodo-2-methyl-

5. 5-iodo-2-methyl-phenylamine

6. 5-iodo-2-methylbenzenamine

7. Mfcd00051531

8. Benzenamine,5-iodo-2-methyl-

9. 5-iodo-2-methyl-aniline

10. Einecs 281-094-2

11. 2-methyl-5-iodoaniline

12. 5-iodo-2-methylaniline #

13. 5-iodanyl-2-methyl-aniline

14. Schembl616552

15. (5-iodo-2-methylphenyl)amine

16. 5-iodo-2-methylaniline, 97%

17. Dtxsid50232753

18. Zinc161697

19. Act11593

20. Bbl100579

21. Cl8452

22. Stl554373

23. Akos005254698

24. Ac-3744

25. Cs-w012931

26. Ds-0913

27. Ps-4407

28. Sb73976

29. Sy019034

30. Db-007062

31. Am20050550

32. Ft-0620518

33. I1021

34. En300-88614

35. 863i336

36. A840672

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₇H₈IN
Molecular Weight	233.05 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	232.97015 g/mol
Monoisotopic Mass	232.97015 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.9
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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