CAS 20469-63-0

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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

CAS 20469-63-0

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 Formula	C₈H₉IO₂
Molecular Weight	264.06 g/mol
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	263.96473 g/mol
Monoisotopic Mass	263.96473 g/mol
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	119
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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