CAS-50-45-3

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

Virtual Booth

Contact Supplier

Munit offers scalable GMP micronization and particle size engineering to enhance drug solubility, bioavailability, and performance.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 35 Related Intermediates

1 Suppliers
1 End Use APIs
35 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 50-45-3, Benzoic acid, 2,3-dichloro-, 2,3-dichorobenzoic acid, 2,3-dichloro benzoic acid, Benzoic acid, dichloro-, Cgp39qv5wf

Molecular Formula

C₇H₄Cl₂O₂

Molecular Weight

191.01 g/mol

InChI Key

QAOJBHRZQQDFHA-UHFFFAOYSA-N

FDA UNII

CGP39QV5WF

1 2D Structure

CAS 50-45-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3-dichlorobenzoic acid

2.1.2 InChI

InChI=1S/C7H4Cl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)

2.1.3 InChI Key

QAOJBHRZQQDFHA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C(=C1)Cl)Cl)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

CGP39QV5WF

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 50-45-3

2. Benzoic Acid, 2,3-dichloro-

3. 2,3-dichorobenzoic Acid

4. 2,3-dichloro Benzoic Acid

5. Benzoic Acid, Dichloro-

6. Cgp39qv5wf

7. Dichlorobenzoic Acid

8. 2,3-dichloro-benzoic Acid

9. Mfcd00002413

10. Lamotrigine Related Compound B

11. Brn 1946217

12. Lamotrigine Impurity E

13. Einecs 200-039-5

14. Unii-cgp39qv5wf

15. Ai3-33364

16. 2,3 Dichlorobenzoic Acid

17. Dsstox_cid_4976

18. Ec 200-039-5

19. Dsstox_rid_77605

20. Dsstox_gsid_24976

21. Schembl97298

22. Chembl1353833

23. Dtxsid5024976

24. 2,3-dichlorobenzoic Acid, 97%

25. Chebi:166845

26. Zinc157872

27. Act04678

28. Bcp34351

29. Str00916

30. Dichlorobenzoic Acid, 2,3-

31. Tox21_201189

32. Ck2179

33. Stl195584

34. Akos000119479

35. Am81265

36. Cs-w013224

37. Cas-50-45-3

38. Ncgc00091187-01

39. Ncgc00091187-02

40. Ncgc00258741-01

41. Ac-12726

42. Sy023164

43. Db-019712

44. D3319

45. Ft-0609556

46. Ft-0666544

47. Lamotrigine Impurity E [ep Impurity]

48. 2,3-dichlorobenzoate;2,3-dichlorobenzoic Acid

49. 50d453

50. Lamotrigine Related Compound B [usp-rs]

51. A828131

52. W-105960

53. Lamotrigine Related Compound B [usp Impurity]

54. Q27275451

55. Z56899108

56. 2,3-dichlorobenzoic Acid, Pharmaceutical Impurity Standard

57. Lamotrigine Impurity E, European Pharmacopoeia (ep) Reference Standard

58. Lamotrigine Related Compound B, United States Pharmacopeia (usp) Reference Standard

59. 2,3-dichlorobenzoic Acid (lamotrigine Related Compound B)(lamotrigine Impurity E), Pharmaceutical Secondary Standard; Certified Reference Material

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₇H₄Cl₂O₂
Molecular Weight	191.01 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	189.9588348 g/mol
Monoisotopic Mass	189.9588348 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	161
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