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Also known as: Phthalazin-1(2h)-one, 119-39-1, Phthalazone, Phthalazinone, Phthalazin-1-one, 2h-phthalazin-1-one
Molecular Formula
C8H6N2O
Molecular Weight
146.15  g/mol
InChI Key
IJAPPYDYQCXOEF-UHFFFAOYSA-N
FDA UNII
463ZJB0EI2

CAS 119-39-1
1 2D Structure

CAS 119-39-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2H-phthalazin-1-one
2.1.2 InChI
InChI=1S/C8H6N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h1-5H,(H,10,11)
2.1.3 InChI Key
IJAPPYDYQCXOEF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C=NNC2=O
2.2 Other Identifiers
2.2.1 UNII
463ZJB0EI2
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1-hydroxyphthalazine

2.3.2 Depositor-Supplied Synonyms

1. Phthalazin-1(2h)-one

2. 119-39-1

3. Phthalazone

4. Phthalazinone

5. Phthalazin-1-one

6. 2h-phthalazin-1-one

7. 1-phthalazinol

8. Phthalazin-1-ol

9. 1-hydroxyphthalazine

10. 1(2h)phthalazinone

11. 1,2-dihydrophthalazin-1-one

12. 1-phthalazinone

13. 1-oxophthalazine

14. 62054-23-3

15. Mfcd00006892

16. 463zjb0ei2

17. Chembl124706

18. Chebi:34023

19. Nsc-10432

20. Nsc-52567

21. Wln: T66 Bvmnj

22. Ccris 4860

23. Hsdb 4310

24. Einecs 204-319-8

25. Nsc 10432

26. Unii-463zjb0ei2

27. Benzo[d]pyridazin-1(2h)one

28. (2h)-phthalazinone

29. Phthalazone, 99%

30. 1-(2h)-phthalazinone

31. Dsstox_cid_5903

32. Dsstox_rid_77965

33. Dsstox_gsid_25903

34. Schembl51553

35. Amy738

36. Dtxsid4025903

37. Ijappydyqcxoef-uhfffaoysa-

38. Act05270

39. Albb-028398

40. Bcp29580

41. Nsc10432

42. Nsc52567

43. Str06150

44. Tox21_200287

45. Bbl023000

46. Bdbm50106185

47. Stl356796

48. Zinc16890049

49. Akos000119448

50. Akos001019048

51. 1-phthalazinone [usp Impurity]

52. Ab03574

53. Cs-w018234

54. Ncgc00091321-01

55. Ncgc00091321-02

56. Ncgc00257841-01

57. Cas-119-39-1

58. Phthalazone Pound>>phthalazin-1(2h)-one

59. Sy026934

60. Db-001996

61. Eu-0033708

62. Ft-0631680

63. P1179

64. W-60386

65. W-108514

66. Q27115758

67. Z48957540

68. F0213-0013

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 146.15 g/mol
Molecular Formula C8H6N2O
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass146.048012819 g/mol
Monoisotopic Mass146.048012819 g/mol
Topological Polar Surface Area41.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity200
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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