CAS 5807-30-7

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1 End Use APIs
26 Related Intermediates

Chemistry

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Also known as: 5807-30-7, 2-(3,4-dichlorophenyl)acetic acid, (3,4-dichlorophenyl)acetic acid, Benzeneacetic acid, 3,4-dichloro-, 3,4-dichlorobenzene acetic acid, 2-(3,4-dichlorophenyl)ethanoic acid

Molecular Formula

C₈H₆Cl₂O₂

Molecular Weight

205.03 g/mol

InChI Key

ZOUPGSMSNQLUNW-UHFFFAOYSA-N

FDA UNII

713NZ1A32D

1 2D Structure

CAS 5807-30-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(3,4-dichlorophenyl)acetic acid

2.1.2 InChI

InChI=1S/C8H6Cl2O2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12)

2.1.3 InChI Key

ZOUPGSMSNQLUNW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1CC(=O)O)Cl)Cl

2.2 Other Identifiers

2.2.1 UNII

713NZ1A32D

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 5807-30-7

2. 2-(3,4-dichlorophenyl)acetic Acid

3. (3,4-dichlorophenyl)acetic Acid

4. Benzeneacetic Acid, 3,4-dichloro-

5. 3,4-dichlorobenzene Acetic Acid

6. 2-(3,4-dichlorophenyl)ethanoic Acid

7. 3,4dichlorophenylaceticacid

8. 3,4-dichlorophenyl Acetic Acid

9. Chembl3116309

10. 713nz1a32d

11. (3,4-dichloro-phenyl)-acetic Acid

12. Mfcd00004333

13. Nsc-132186

14. 3,4-dichlorophenylaceticacid

15. Einecs 227-368-7

16. Nsc 132186

17. 3,4dichlorophenylacetic Acid

18. Schembl283587

19. Unii-713nz1a32d

20. 3,4-dichlorobenzeneacetic Acid

21. 3,4-dichlorophenyl-acetic Acid

22. 3,4-dichloro Phenyl Acetic Acid

23. Dtxsid70206794

24. Zinc156509

25. (3,4-dichloro-phenyl) Acetic Acid

26. Benzeneacetic Acid,?3,4-dichloro-

27. Str02969

28. Bdbm50461996

29. Nsc132186

30. Stk428923

31. 2-(3,4-dichlorophenyl) Acetic Acid

32. 3,4-dichlorophenylacetic Acid, 98%

33. Akos000112358

34. Ac-2903

35. Cs-w020073

36. Ncgc00242250-01

37. Sy003305

38. Db-021870

39. Acetic Acid, (3,4-dichlorophenyl)-

40. Am20060373

41. D1813

42. Ft-0614257

43. 807d307

44. W-105414

45. Q27449859

46. 05r

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₆Cl₂O₂
Molecular Weight	205.03 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	203.9744848 g/mol
Monoisotopic Mass	203.9744848 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172
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