CAS 6575-24-2

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Also known as: 6575-24-2, 2-(2,6-dichlorophenyl)acetic acid, Benzeneacetic acid, 2,6-dichloro-, (2,6-dichlorophenyl)acetic acid, 2,6-dichlorophenylaceticacid, 2,6-dichloro benzeneacetic acid

Molecular Formula

C₈H₆Cl₂O₂

Molecular Weight

205.03 g/mol

InChI Key

SFAILOOQFZNOAU-UHFFFAOYSA-N

FDA UNII

K8G025CX8W

1 2D Structure

CAS 6575-24-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(2,6-dichlorophenyl)acetic acid

2.1.2 InChI

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

2.1.3 InChI Key

SFAILOOQFZNOAU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

K8G025CX8W

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 6575-24-2

2. 2-(2,6-dichlorophenyl)acetic Acid

3. Benzeneacetic Acid, 2,6-dichloro-

4. (2,6-dichlorophenyl)acetic Acid

5. 2,6-dichlorophenylaceticacid

6. 2,6-dichloro Benzeneacetic Acid

7. 2,6-dichlorophenyl Acetic Acid

8. Einecs 229-504-0

9. 2,6-dichlorobenzeneacetic Acid

10. Chembl240293

11. K8g025cx8w

12. Mfcd00004320

13. Unii-k8g025cx8w

14. 2cl

15. Schembl109215

16. Dtxsid1041633

17. Bdbm16429

18. Zinc388514

19. (2,6-dichloro-phenyl)-acetic Acid

20. 2,6-dichlorophenylacieticacid

21. Stk428921

22. 2,6-dichlorophenylacetic Acid, 97%

23. Akos000119460

24. Ac-2737

25. Am62271

26. Cs-w015390

27. Pb43231

28. As-10862

29. Dichlorobenzeneacetic Acid, 2,6-

30. Sy002771

31. Db-020186

32. Acetic Acid, (2,6-dichlorophenyl)-

33. D1897

34. Ft-0610624

35. 575d242

36. W-104786

37. Q27282086

38. Z219997492

39. 2-(2,6-dichlorophenyl)acetic Acid;2,6-dichlorophenylacetic Acid

40. 3-benzyl-4-oxo-3,4-dihydro-phthalazine-1-carboxylicacid

2.4 Create Date

2005-07-09

3 Chemical and Physical Properties

Molecular Formula	C₈H₆Cl₂O₂
Molecular Weight	205.03 g/mol
XLogP3	2.6
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	162
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