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2D Structure
Also known as: 20469-63-0, 1-iodo-2,4-dimethoxybenzene, 2,4-dimethoxy-1-iodobenzene, 1,3-dimethoxy-4-iodobenzene, Benzene, 1-iodo-2,4-dimethoxy-, 1-iodo-2,4-dimethoxy-benzene
Molecular Formula
C8H9IO2
Molecular Weight
264.06  g/mol
InChI Key
ZDUYJCKEORTAQE-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-iodo-2,4-dimethoxybenzene
2.1.2 InChI
InChI=1S/C8H9IO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3
2.1.3 InChI Key
ZDUYJCKEORTAQE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC(=C(C=C1)I)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 20469-63-0

2. 1-iodo-2,4-dimethoxybenzene

3. 2,4-dimethoxy-1-iodobenzene

4. 1,3-dimethoxy-4-iodobenzene

5. Benzene, 1-iodo-2,4-dimethoxy-

6. 1-iodo-2,4-dimethoxy-benzene

7. Mfcd00059268

8. 4-iodo-1,3-dimethoxybenzene

9. Nsc89774

10. 4-iodo-3-methoxy Anisole

11. Cambridge Id 5107587

12. Nciopen2_006201

13. Cbdive_003060

14. Schembl388185

15. 1-iodo-2,4-dimethoxybenzene #

16. 1-iodanyl-2,4-dimethoxy-benzene

17. Dtxsid50174442

18. Hms1577d05

19. Zinc294857

20. Nsc 89774

21. Nsc-89774

22. 1-iodo-2,4-dimethoxybenzene, 97%

23. Akos015851684

24. Cs-w001202

25. Ps-6041

26. Ac-20920

27. Sy050269

28. Db-019969

29. Am20030307

30. D0636

31. Ft-0610130

32. F21463

33. Ab00073825-01

34. A814588

35. J-507234

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 264.06 g/mol
Molecular Formula C8H9IO2
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass263.96473 g/mol
Monoisotopic Mass263.96473 g/mol
Topological Polar Surface Area18.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity119
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1