Close
4
Pipeline-Prospector-Insert
X

Overview

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

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 Depositor-Supplied Synonyms

1. Phthalazone

2. 119-39-1

3. Phthalazin-1(2h)-one

4. Phthalazinone

5. Phthalazin-1-one

6. 2h-phthalazin-1-one

7. 1-phthalazinol

8. 1-hydroxyphthalazine

9. Phthalazin-1-ol

10. 1(2h)phthalazinone

11. 1,2-dihydrophthalazin-1-one

12. 1-phthalazinone

13. Unii-463zjb0ei2

14. Ccris 4860

15. Hsdb 4310

16. Einecs 204-319-8

17. Nsc 10432

18. Chembl124706

19. 62054-23-3

20. Chebi:34023

21. Ijappydyqcxoef-uhfffaoysa-n

22. 2-hydrophthalazin-1-one

23. Wln: T66 Bvmnj

24. 1-oxophthalazine

25. (2h)-phthalazinone

26. Phthalazone, 99%

27. Phthalazinol (9ci)

28. 1-(2h)-phthalazinone

29. Ac1l1qwk

30. Dsstox_cid_5903

31. Acmc-209u7u

32. Ac1q6dw1

33. Ac1q6h0i

34. Dsstox_rid_77965

35. Dsstox_gsid_25903

36. Schembl51553

37. Ksc176i3d

38. Aronis24088

39. 1,2-dihydro-1-oxophthalazine

40. Benzo[d]pyridazin-1(2h)-one

41. 463zjb0ei2

42. Dtxsid4025903

43. Ctk0h6431

44. Ctk2f5528

45. Ijappydyqcxoef-uhfffaoysa-

46. Molport-001-763-276

47. Molport-003-986-291

48. Act05270

49. Albb-028398

50. Ks-00000l1p

51. Nsc10432

52. Nsc52567

53. Str06150

54. Tox21_200287

55. Anw-43432

56. Bbl023000

57. Bdbm50106185

58. Cp-342

59. Ls-617

60. Mfcd00006892

61. Nsc-10432

62. Nsc-52567

63. Sbb080598

64. Stl356796

65. Zinc16890049

66. Akos000119448

67. Akos001019048

68. Ab03574

69. Mcule-6184387915

70. Rp21052

71. Ncgc00091321-01

72. Ncgc00091321-02

73. Ncgc00257841-01

74. Aj-69594

75. Ak-44896

76. An-43303

77. Br-44896

78. Cas-119-39-1

79. Cj-15649

80. He009204

81. He281240

82. He350541

83. N949

84. Sc-26978

85. Db-001996

86. Kb-124131

87. Tl8000519

88. 4ch-013958

89. Eu-0033708

90. Ft-0631680

91. P1179

92. St45025194

93. St50511723

94. C14473

95. S-1490

96. 80196-ep2281818a1

97. 80196-ep2305250a1

98. W-60386

99. W-108514

100. Z48957540

101. F0213-0013

102. Inchi=1/c8h6n2o/c11-8-7-4-2-1-3-6(7)5-9-10-8/h1-5h,(h,10,11)

103. 5418-26-8

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 146.149 g/mol
Molecular Formula C8H6N2O
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass146.048 g/mol
Monoisotopic Mass146.048 g/mol
Topological Polar Surface Area41.5 A^2
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
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty

Advertise With Us

Advertise With Us