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Overview of 5401-94-5

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4lm0
PharmaCompass
4lm0
Also known as: 5-nitro-1h-indazole, 5401-94-5, 1h-indazole, 5-nitro-, Unii-235y7p37zd, Ccris 4134, Nsc 5032
Molecular Formula
C7H5N3O2
Molecular Weight
163.13  g/mol
InChI Key
WSGURAYTCUVDQL-UHFFFAOYSA-N
FDA UNII
235Y7P37ZD

1 2D Structure

4lm0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-nitro-1H-indazole
2.1.2 InChI
InChI=1S/C7H5N3O2/c11-10(12)6-1-2-7-5(3-6)4-8-9-7/h1-4H,(H,8,9)
2.1.3 InChI Key
WSGURAYTCUVDQL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C=NN2
2.2 Other Identifiers
2.2.1 UNII
235Y7P37ZD
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 5-nitro-1h-indazole

2.3.2 Depositor-Supplied Synonyms

1. 5-nitro-1h-indazole

2. 5401-94-5

3. 1h-indazole, 5-nitro-

4. Unii-235y7p37zd

5. Ccris 4134

6. Nsc 5032

7. Einecs 226-451-5

8. Mfcd00005693

9. Brn 0007936

10. Chembl165372

11. Wsguraytcuvdql-uhfffaoysa-n

12. 235y7p37zd

13. 5ni

14. 2h-indazole, 5-nitro-

15. 5-nitroindazol

16. 5-nitro Indazole

17. 5-nitro-indazole

18. 5-nitro-1h-indazol

19. 5-nitro-ih-indazole

20. 5-nitro-2h-indazole

21. Pubchem15672

22. 4lm0

23. Ac1l2igs

24. Acmc-209lc9

25. 5-nitroindazole, >=99%

26. Dsstox_cid_29272

27. Dsstox_rid_83391

28. Dsstox_gsid_49316

29. 5-23-06-00180 (beilstein Handbook Reference)

30. 5-nitro-1h-indazole 99%

31. Ksc490o7n

32. Mls000728712

33. Schembl148826

34. Dtxsid5049316

35. Schembl17594510

36. Ctk3j0776

37. Nsc5032

38. Hms2699l04

39. Hms3604h19

40. Zinc156104

41. Act06347

42. Bcp23472

43. Cs-b1273

44. Ks-000003ys

45. Nsc-5032

46. Zero/005563

47. Tox21_202925

48. Anw-31927

49. Bdbm50304144

50. Cn-037

51. Sbb002561

52. Stk764725

53. Akos000120077

54. Akos015966034

55. Akos024268503

56. Ac-2732

57. An-3148

58. Db04534

59. Mcule-9111482594

60. Pb25890

61. Rp02295

62. Rtc-063955

63. Vi20057

64. Wt82102

65. Ncgc00245898-01

66. Ncgc00260471-01

67. 65750-01-8

68. Aj-13699

69. Ak-27901

70. As-11700

71. Br-27901

72. Cj-01480

73. Fs000340

74. Ls-81534

75. Sc-16543

76. Smr000306991

77. Zb006209

78. Cas-5401-94-5

79. Ab1001429

80. Db-014603

81. St2412116

82. St4097030

83. Tc-063955

84. A7852

85. Am20040676

86. Ft-0602362

87. N0398

88. Q-1003

89. 118505-ep2295412a1

90. 118505-ep2295413a1

91. 118505-ep2298767a1

92. 126814-ep2295412a1

93. 126814-ep2295413a1

94. A829911

95. Aq-776/40649175

96. I14-0003

97. Q-200548

98. Z57471016

99. F0001-1417

100. Inchi=1/c7h5n3o2/c11-10(12)6-1-2-7-5(3-6)4-8-9-7/h1-4h,(h,8,9

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 163.13 g/mol
Molecular Formula C7H5N3O2
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass163.038176 g/mol
Monoisotopic Mass163.038176 g/mol
Topological Polar Surface Area74.5
Heavy Atom Count12
Formal Charge0
Complexity192
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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