85-56-3

Chemistry, 1 End Use API, 3 Related Intermediates

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Also known as: 85-56-3, Benzoic acid, 2-(4-chlorobenzoyl)-, O-(p-chlorobenzoyl)benzoic acid, 2-(4'-chlorobenzoyl)benzoic acid, 2-(p-chlorobenzoyl)benzoic acid, O-(4-chlorobenzoyl)benzoic acid

Molecular Formula

C₁₄H₉ClO₃

Molecular Weight

260.67 g/mol

InChI Key

YWECCEXWKFHHQJ-UHFFFAOYSA-N

FDA UNII

3U7W4YOY3R

1 2D Structure

85-56-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(4-chlorobenzoyl)benzoic acid

2.1.2 InChI

InChI=1S/C14H9ClO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)

2.1.3 InChI Key

YWECCEXWKFHHQJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

3U7W4YOY3R

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 85-56-3

2. Benzoic Acid, 2-(4-chlorobenzoyl)-

3. O-(p-chlorobenzoyl)benzoic Acid

4. 2-(4'-chlorobenzoyl)benzoic Acid

5. 2-(p-chlorobenzoyl)benzoic Acid

6. O-(4-chlorobenzoyl)benzoic Acid

7. Benzoic Acid, O-(p-chlorobenzoyl)-

8. 4'-chlorobenzophenone-2-carboxylic Acid

9. 3u7w4yoy3r

10. Chembl81936

11. Nsc 7825

12. Nsc-7825

13. 2-(4-chloro-benzoyl)-benzoic Acid

14. Einecs 201-615-9

15. Mfcd00002474

16. 2-[(4-chlorophenyl)carbonyl]benzoic Acid

17. Ai3-15224

18. 60839-51-2

19. P-chlorobenzoylbenzoic Acid

20. Unii-3u7w4yoy3r

21. 4-chlorobenzoylbenzoic Acid

22. Oprea1_123398

23. 2-(4-chlorbenzoyl)benzoesyre

24. Mls000776970

25. Schembl1247787

26. 0-(p-chlorobenzoyl)benzoic Acid

27. Dtxsid1058927

28. Niosh/dg4976790

29. Nsc7825

30. 2-(p-chlorobenzoyl) Benzoic Acid

31. O-(4-chlorobenzoyl)-benzoic Acid

32. 2-(4-chlorobenzoyl) Benzoic Acid

33. 2-(4-chlorobenzoyl)-benzoic Acid

34. Benzoic Acid, (4-chlorobenzoyl)-

35. Hms2770e11

36. Amy38296

37. 2-(4/'-chlorobenzoyl)benzoic Acid

38. Ac1414

39. Bbl010294

40. Bdbm50129030

41. Stk366819

42. Akos000119017

43. Cs-w009453

44. 2-(4-chlorobenzoyl)benzoic Acid, 98%

45. Ncgc00246436-01

46. Ac-10729

47. As-17258

48. Ls-36404

49. Smr000413365

50. Sy007527

51. 1-carboxy-2-(4-chlorophenylcarbonyl)benzene

52. Dg49767900

53. Ft-0608605

54. En300-19298

55. 4-chlorobenzophenone-2'-carboxylic Acid

56. A841364

57. W-104078

58. Q27258040

59. Z104473452

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₉ClO₃
Molecular Weight	260.67 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	54.4
Heavy Atom Count	18
Formal Charge	0
Complexity	321
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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CAS Number

82875-49-8

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