CAS-42019-78-3

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Also known as: 42019-78-3, (4-chlorophenyl)(4-hydroxyphenyl)methanone, 4-hydroxy-4'-chlorobenzophenone, (4-chlorophenyl)-(4-hydroxyphenyl)methanone, 4-(4-chlorobenzoyl)phenol, Fenofibrate related compound a

Molecular Formula

C₁₃H₉ClO₂

Molecular Weight

232.66 g/mol

InChI Key

RUETVLNXAGWCDS-UHFFFAOYSA-N

FDA UNII

FF9YB926A3

1 2D Structure

CAS 42019-78-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4-chlorophenyl)-(4-hydroxyphenyl)methanone

2.1.2 InChI

InChI=1S/C13H9ClO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,15H

2.1.3 InChI Key

RUETVLNXAGWCDS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)O

2.2 Other Identifiers

2.2.1 UNII

FF9YB926A3

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 42019-78-3

2. (4-chlorophenyl)(4-hydroxyphenyl)methanone

3. 4-hydroxy-4'-chlorobenzophenone

4. (4-chlorophenyl)-(4-hydroxyphenyl)methanone

5. 4-(4-chlorobenzoyl)phenol

6. Fenofibrate Related Compound A

7. Methanone, (4-chlorophenyl)(4-hydroxyphenyl)-

8. Mfcd00002357

9. Ff9yb926a3

10. 104135-57-1

11. 4-chloro-4`-hydroxybenzophenone

12. 4-p-chlorobenzoylphenol

13. Methanone, (4-chlorophenyl)(4-hydroxyphenyl)-, Homopolymer

14. (4-chlorophenyl)(4-hydroxyphenyl)-methanone

15. Mls000104608

16. Einecs 255-627-4

17. 4-chlorophenyl 4-hydroxyphenyl Ketone

18. 4-chloro-4-hydroxybenzophenone

19. Methyleneaminoacetamide

20. Cbmicro_020566

21. Fenofibrate Ep Impurity A

22. Ec 255-627-4

23. Dsstox_cid_27937

24. Dsstox_rid_82689

25. Unii-ff9yb926a3

26. 4-(4-chlorobenzoyl)-phenol

27. Dsstox_gsid_47961

28. Oprea1_602385

29. Schembl333466

30. 4,4'-chlorohydroxybenzophenone

31. 4-chloro-4'-hydroxybezophenone

32. 4'-chloro-4-hydroxybenzophenone

33. Chembl1438628

34. Dtxsid4047961

35. Regid_for_cid_123504

36. 4'-chloro-4-hydroxy-benzophenone

37. 4-chloro-4'-hydroxy-benzophenone

38. 4-chloro-4\'-hydroxybenzophenone

39. 4-hydroxy-4'-chloro-benzophenone

40. Hms2280f17

41. Zinc155545

42. Act07559

43. Amy39235

44. Bcp24465

45. Ccg-5132

46. Tox21_200974

47. Stk424532

48. Akos000120539

49. Ac-7312

50. Cs-w012933

51. 4-chloro-4'-hydroxybenzophenone, 98%

52. 4-chloro-4'-hydroxylbenzophenone

53. Ncgc00076230-02

54. Ncgc00258527-01

55. 4-chloro-4'-hydroxy Benzophenone

56. As-10884

57. Smr000054541

58. Sy005693

59. Bim-0020576.p001

60. Cas-42019-78-3

61. Db-014461

62. Ft-0618102

63. Ft-0618103

64. (4-chlorophenyl)(4-hydroxyphenyl)methanone #

65. A18763

66. Fenofibrate Related Compound A [usp-rs]

67. Benzophenone, 4-chloro-4'-hydroxy- (6ci)

68. W-106286

69. 1-(4-chlorophenyl)-1-(4-hydroxyphenyl)methanone

70. 4-chloro-4 Inverted Exclamation Mark -hydroxybenzophenone

71. (4-chlorophenyl)(4-hydroxyphenyl)methanone;4-chloro-4'-hydroxybenzophenone

72. Fenofibrate Impurity A, European Pharmacopoeia (ep) Reference Standard

73. Fenofibrate Related Compound A, United States Pharmacopeia (usp) Reference Standard

74. Fenofibrate Usp Related Compound A; (4-chlorophenyl)(4-hydroxyphenyl)methanone; 4-(4-chlorobenzoyl)phenol; 4-hydroxy-4'-chlorobenzophenone; 4-p-chlorobenzoylphenol

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₉ClO₂
Molecular Weight	232.66 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	232.0291072 g/mol
Monoisotopic Mass	232.0291072 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	238
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