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Also known as: 19094-56-5, Benzoic acid, 2-chloro-5-iodo-, 2-chloro-5-iodo-benzoic acid, Mfcd00079731, 2-chloro-5-iodobenzoicacid, Ec 606-224-0
Molecular Formula
C7H4ClIO2
Molecular Weight
282.46  g/mol
InChI Key
GEBYSTBEDVQOTK-UHFFFAOYSA-N

CAS 19094-56-5
1 2D Structure

CAS 19094-56-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloro-5-iodobenzoic acid
2.1.2 InChI
InChI=1S/C7H4ClIO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)
2.1.3 InChI Key
GEBYSTBEDVQOTK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C=C1I)C(=O)O)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 19094-56-5

2. Benzoic Acid, 2-chloro-5-iodo-

3. 2-chloro-5-iodo-benzoic Acid

4. Mfcd00079731

5. 2-chloro-5-iodobenzoicacid

6. Ec 606-224-0

7. 5-iodo-2-chlorobenzoic Acid

8. Schembl305505

9. Dtxsid00334099

10. Act07777

11. Cs-d1207

12. Str08177

13. Zinc2149847

14. 2-chloro-5-iodobenzoic Acid, 97%

15. Lt0050

16. Stl377354

17. Akos002341055

18. Ac-3935

19. Ps-7223

20. Sy006737

21. Db-014080

22. Am20030244

23. Ft-0611823

24. A19981

25. J-508849

26. Z1416282584

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 282.46 g/mol
Molecular Formula C7H4ClIO2
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass281.89445 g/mol
Monoisotopic Mass281.89445 g/mol
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity163
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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