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ACTIVE PHARMA INGREDIENTS

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Synopsis

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Chemistry

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Also known as: 3926-62-3, Chloroacetic acid sodium salt, Acetic acid, chloro-, sodium salt, Sodium monochloroacetate, Sodium 2-chloroacetate, Sodium;2-chloroacetate

Molecular Formula

C₂H₂ClNaO₂

Molecular Weight

116.48 g/mol

InChI Key

FDRCDNZGSXJAFP-UHFFFAOYSA-M

FDA UNII

8D9PZU6L69

1 2D Structure

Chloroacetic Acid Sodium Salt

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;2-chloroacetate

2.1.2 InChI

InChI=1S/C2H3ClO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1

2.1.3 InChI Key

FDRCDNZGSXJAFP-UHFFFAOYSA-M

2.1.4 Canonical SMILES

C(C(=O)[O-])Cl.[Na+]

2.2 Other Identifiers

2.2.1 UNII

8D9PZU6L69

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Acetocaustin

2. Chloroacetate

3. Chloroacetic Acid

4. Chloroacetic Acid, Aluminum Salt

5. Chloroacetic Acid, Ammonium (2:1) Salt

6. Chloroacetic Acid, Ammonium Salt

7. Chloroacetic Acid, Calcium (3:1) Salt

8. Chloroacetic Acid, Calcium Salt

9. Chloroacetic Acid, Potassium (2:1) Salt

10. Chloroacetic Acid, Potassium Salt

11. Chloroacetic Acid, Silver Salt

12. Chloroacetic Acid, Sodium (2:1) Salt

13. Chloroacetic Acid, Sodium (5:2) Salt

14. Chloroacetic Acid, Sodium Salt

15. Monochloroacetic Acid

2.3.2 Depositor-Supplied Synonyms

1. 3926-62-3

2. Chloroacetic Acid Sodium Salt

3. Acetic Acid, Chloro-, Sodium Salt

4. Sodium Monochloroacetate

5. Sodium 2-chloroacetate

6. Sodium;2-chloroacetate

7. Chloroacetic Acid, Sodium Salt

8. 8d9pzu6l69

9. Monoxone

10. Dow Defoliant

11. Dsstox_cid_7550

12. Dsstox_rid_78501

13. Dsstox_gsid_27550

14. Smca

15. Sodium Monochloracetate

16. Caswell No. 755a

17. Chloroctan Sodny

18. Chloroctan Sodny [czech]

19. Cas-3926-62-3

20. Einecs 223-498-3

21. Un2659

22. Epa Pesticide Chemical Code 355200

23. Unii-8d9pzu6l69

24. Mfcd00002684

25. Sodium Chloro-acetate

26. Clch2co2na

27. Sodium Mono Chloroacetate

28. Sodium Alpha-chloroacetate

29. Acetic Acid, 2-chloro-, Sodium Salt (1:1)

30. Ec 223-498-3

31. Sodium Chloroacetate, 98%

32. Schembl99174

33. Chembl3186550

34. Dtxsid1027550

35. Tox21_202011

36. Tox21_303144

37. Akos015950678

38. Ncgc00256954-01

39. Ncgc00259560-01

40. Chloroacetic Acid Sodium Salt [mi]

41. Sodium Chloroacetate [un2659] [poison]

42. Ft-0623625

43. Q410825

44. 1081776-28-4

2.4 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₂H₂ClNaO₂
Molecular Weight	116.48 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	115.9641013 g/mol
Monoisotopic Mass	115.9641013 g/mol
Topological Polar Surface Area	40.1 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	46.8
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	2

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ACTIVE PHARMA INGREDIENTS

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