CAS-719-59-5

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Also known as: 719-59-5, (2-amino-5-chlorophenyl)(phenyl)methanone, 2-benzoyl-4-chloroaniline, Methanone, (2-amino-5-chlorophenyl)phenyl-, 2-amino-5-chlorobenzylphenone, Benzophenone, 2-amino-5-chloro-

Molecular Formula

C₁₃H₁₀ClNO

Molecular Weight

231.68 g/mol

InChI Key

ZUWXHHBROGLWNH-UHFFFAOYSA-N

FDA UNII

FR80014ZBT

1 2D Structure

CAS 719-59-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2-amino-5-chlorophenyl)-phenylmethanone

2.1.2 InChI

InChI=1S/C13H10ClNO/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H,15H2

2.1.3 InChI Key

ZUWXHHBROGLWNH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

FR80014ZBT

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-acb

2.3.2 Depositor-Supplied Synonyms

1. 719-59-5

2. (2-amino-5-chlorophenyl)(phenyl)methanone

3. 2-benzoyl-4-chloroaniline

4. Methanone, (2-amino-5-chlorophenyl)phenyl-

5. 2-amino-5-chlorobenzylphenone

6. Benzophenone, 2-amino-5-chloro-

7. 5-chloro-2-aminobenzophenone

8. (2-amino-5-chlorophenyl)-phenylmethanone

9. 2-amino-5-chlorbenzophenone

10. (2-amino-5-chlorophenyl)phenylmethanone

11. Unii-fr80014zbt

12. Nsc 84157

13. 2'-amino-5'-chlorobenzophenone

14. Mfcd00007839

15. Fr80014zbt

16. Nsc-84157

17. (2-amino-5-chlorophenyl)phenylmethanone (aminochlorobenzophenone)

18. 2-amino-5-chloro Benzophenone

19. Einecs 211-949-7

20. Brn 0475640

21. 2-amino-5-chloro-benzophenone

22. (2-amino-5-chloro-phenyl)-phenyl-methanone

23. Ec 211-949-7

24. 2-amino-5-chlorbenzophenon

25. Cambridge Id 5191861

26. Oxazepam Benzophenone

27. 2-amino-5-chlorobenzophenon

28. Dsstox_cid_31036

29. Dsstox_gsid_52463

30. Oprea1_343888

31. 3-14-00-00214 (beilstein Handbook Reference)

32. Mls000682800

33. Schembl145366

34. Chembl1417425

35. Dtxsid0052463

36. Hms1648m18

37. Hms2602b11

38. Zinc155592

39. Nsc84157

40. Str01705

41. 2-amino-5-chlorobenzophenone-[d5]

42. Tox21_304017

43. 2-amino-5-chlorobenzophenone, 98%

44. Bbl012199

45. Stk397829

46. 2-amino,5-chloro-benzophenone

47. Akos000119483

48. Ncgc00245932-01

49. Ncgc00357230-01

50. Ac-10167

51. Cas-719-59-5

52. Oxazepam Impurity D [ep Impurity]

53. Smr000312157

54. (2-amino-5-chloro-phenyl)phenyl-methanone

55. Methanone,(2-amino-5-chlorophenyl)phenyl-

56. Alprazolam Impurity E [ep Impurity]

57. A0079

58. Cs-0006946

59. Ft-0611158

60. Ft-0661674

61. (2-azanyl-5-chloranyl-phenyl)-phenyl-methanone

62. 2-amino-5-chlorobenzophenone [usp-rs]

63. D70624

64. A837365

65. 2-amino-5-chlorobenzophenone [usp Impurity]

66. Q-200233

67. Q27278146

68. Dipotassium Clorazepate Impurity A [ep Impurity]

69. F0266-1270

70. Chlordiazepoxide Hydrochloride Impurity C [ep Impurity]

71. 2-amino-5-chlorobenzophenone, United States Pharmacopeia (usp) Reference Standard

72. 2-chloro-3-{3-[3-(1-ethyl-1h-pyrazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl}pyridine

73. 2-amino-5-chlorobenzophenone, Pharmaceutical Secondary Standard; Certified Reference Material

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₀ClNO
Molecular Weight	231.68 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	231.0450916 g/mol
Monoisotopic Mass	231.0450916 g/mol
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	250
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