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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

85-56-3
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 Weight 260.67 g/mol
Molecular Formula C14H9ClO3
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area54.4
Heavy Atom Count18
Formal Charge0
Complexity321
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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