CAS 1878-66-6

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Also known as: 1878-66-6, 2-(4-chlorophenyl)acetic acid, P-chlorophenylacetic acid, 4-chlorobenzeneacetic acid, (4-chlorophenyl)acetic acid, Benzeneacetic acid, 4-chloro-

Molecular Formula

C₈H₇ClO₂

Molecular Weight

170.59 g/mol

InChI Key

CDPKJZJVTHSESZ-UHFFFAOYSA-N

FDA UNII

LLQ6PU28WR

(4-chlorophenyl)acetic acid is a natural product found in Apis cerana with data available.

1 2D Structure

CAS 1878-66-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(4-chlorophenyl)acetic acid

2.1.2 InChI

InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)

2.1.3 InChI Key

CDPKJZJVTHSESZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

LLQ6PU28WR

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-chlorophenylacetate

2. 4-chlorophenylacetic Acid, Potassium Salt

3. 4-chlorophenylacetic Acid, Sodium Salt

2.3.2 Depositor-Supplied Synonyms

1. 1878-66-6

2. 2-(4-chlorophenyl)acetic Acid

3. P-chlorophenylacetic Acid

4. 4-chlorobenzeneacetic Acid

5. (4-chlorophenyl)acetic Acid

6. Benzeneacetic Acid, 4-chloro-

7. (p-chlorophenyl)acetic Acid

8. 2-(p-chlorophenyl)acetic Acid

9. Acetic Acid, (p-chlorophenyl)-

10. 4-chlorophenyl Acetic Acid

11. Mfcd00004344

12. Llq6pu28wr

13. (4-chloro-phenyl)-acetic Acid

14. Nsc-14285

15. Einecs 217-521-6

16. Nsc 14285

17. P-chlorophenyl Acetic Acid

18. Brn 1072816

19. Ccris 8622

20. 4chlorophenylacetic Acid

21. 4-chiorophenylacetic Acid

22. Unii-llq6pu28wr

23. (p-chlorophenyl)-aceticaci

24. 4-chlorophenyl-acetic Acid

25. Bmse000395

26. Para-chlorophenyl Acetic Acid

27. Schembl75665

28. (p-chloro-phenyl)acetic Acid

29. Acetic Acid, P-chlorophenyl-

30. (4-chlorophenyl)-acetic Acid

31. 2-(4-chlorophenyl)aceticacid

32. Acetic Acid, 4-chlorophenyl-

33. Dtxsid7062031

34. 2-(4-chlorophenyl) Acetic Acid

35. 2-(4-chlorophenyl)-acetic Acid

36. Bdbm16427

37. Chebi:30749

38. Zinc156077

39. Act12867

40. Bcp21026

41. Nsc14285

42. Stk498738

43. Akos000119602

44. Ac-2907

45. Bs-3929

46. Cs-w010778

47. Hy-w010062

48. Ft-0618247

49. A22032

50. C-5260

51. C03077

52. D70527

53. 4-chlorophenylacetic Acid, Reagentplus(r), 99%

54. A908337

55. Q27104143

56. F0001-0673

57. Z1258992618

58. 4-chlorophenylacetic Acid, Vetec(tm) Reagent Grade, 98%

59. 67ef95c4-f494-4586-880f-393bcd1f8f3d

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₈H₇ClO₂
Molecular Weight	170.59 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	170.0134572 g/mol
Monoisotopic Mass	170.0134572 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	139
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

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