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CAS 610-97-9 manufacturers and suppliers on PharmaCompass

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CAS 610-97-9
Also known as: 610-97-9, 2-iodobenzoic acid methyl ester, Methyl o-iodobenzoate, Benzoic acid, 2-iodo-, methyl ester, Methyl-2-iodobenzoate, 2-iodo-benzoic acid methyl ester
Molecular Formula
C8H7IO2
Molecular Weight
262.04  g/mol
InChI Key
BXXLTVBTDZXPTN-UHFFFAOYSA-N
FDA UNII
HCW7KL2LZN

methyl 2-iodobenzoate is a natural product found in Streptomyces chartreusis with data available.
1 2D Structure

CAS 610-97-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 2-iodobenzoate
2.1.2 InChI
InChI=1S/C8H7IO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3
2.1.3 InChI Key
BXXLTVBTDZXPTN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC(=O)C1=CC=CC=C1I
2.2 Other Identifiers
2.2.1 UNII
HCW7KL2LZN
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 610-97-9

2. 2-iodobenzoic Acid Methyl Ester

3. Methyl O-iodobenzoate

4. Benzoic Acid, 2-iodo-, Methyl Ester

5. Methyl-2-iodobenzoate

6. 2-iodo-benzoic Acid Methyl Ester

7. Benzoic Acid, O-iodo-, Methyl Ester

8. Hcw7kl2lzn

9. Mfcd00016351

10. Nsc-34638

11. Einecs 210-243-6

12. Nsc 34638

13. Methyl 2-iodo-benzoate

14. Unii-hcw7kl2lzn

15. Ai3-11097

16. Schembl63699

17. Methyl 2-iodobenzoate, 97%

18. O-iodobenzoic Acid Methyl Ester

19. Dtxsid7060594

20. Bxxltvbtdzxptn-uhfffaoysa-

21. O-iodobenzoic Acid, Methyl Ester

22. Zinc159279

23. Amy10027

24. Nsc34638

25. Str03826

26. Akos005259717

27. Cs-w007334

28. Ac-18402

29. Sy002220

30. 3,5-dihydroxyacetophenonemonohydrate

31. Db-014859

32. Ft-0612666

33. I0586

34. D70600

35. Q-102040

36. F0001-1601

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 262.04 g/mol
Molecular Formula C8H7IO2
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass261.94908 g/mol
Monoisotopic Mass261.94908 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity147
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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Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shanghai is only 1.5 hours by car. Established in 2006, we have developed quickly into a comprehensive entity engaged in and marketing, developing and manufacturing of Active Pharmaceutical Ingredients, intermediates and fine chemicals.Our collaboration production site is in the national chemical park in our city: Nantong Rudong Yangkou Chemical park. Available test instrument in the production site: IR, UV, HPLC, GC, etc.. Production equipment: More than 50 reactors, size from 1L to 3000L , reaction temperature from -10℃ to +300℃.
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Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shangha...
Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shanghai is only 1.5 hours by car. Established in 2006, we have developed quickly into a comprehensive entity engaged in and marketing, developing and manufacturing of Active Pharmaceutical Ingredients, intermediates and fine chemicals.Our collaboration production site is in the national chemical park in our city: Nantong Rudong Yangkou Chemical park. Available test instrument in the production site: IR, UV, HPLC, GC, etc.. Production equipment: More than 50 reactors, size from 1L to 3000L , reaction temperature from -10℃ to +300℃.
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