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Overview of CAS 603-85-0

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4CH-016010
PharmaCompass
  • Chemistry
4CH-016010
Also known as: 603-85-0, Phenol, 2-amino-3-nitro-, 2-hydroxy-6-nitroaniline, Ccris 2544, 3-nitro-2-aminophenol, 2-amino-3-nitro-phenol
Molecular Formula
C6H6N2O3
Molecular Weight
154.125  g/mol
InChI Key
KUCWUAFNGCMZDB-UHFFFAOYSA-N
FDA UNII
A7F97ZPU2W

1 2D Structure

4CH-016010

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-amino-3-nitrophenol
2.1.2 InChI
InChI=1S/C6H6N2O3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H,7H2
2.1.3 InChI Key
KUCWUAFNGCMZDB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C(=C1)O)N)[N+](=O)[O-]
2.2 Other Identifiers
2.2.1 UNII
A7F97ZPU2W
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 603-85-0

2. Phenol, 2-amino-3-nitro-

3. 2-hydroxy-6-nitroaniline

4. Ccris 2544

5. 3-nitro-2-aminophenol

6. 2-amino-3-nitro-phenol

7. Einecs 210-060-1

8. 2-amino-3-hydroxynitrobenzene

9. 1-hydroxy-2-amino-3-nitrobenzene

10. Mfcd00010875

11. Sbb062714

12. Unii-a7f97zpu2w

13. 2-amino-nitrophenol

14. Amino-3-nitrophenol

15. Zlchem 577

16. Pubchem2104

17. Pubchem3202

18. 2-amino-3-nitrophenoi

19. 2-amino-3-nitro Phenol

20. Acmc-1awj4

21. A7f97zpu2w

22. Schembl94283

23. Ksc490k8f

24. Ac1n3o13

25. Ac1q50w1

26. Phe033

27. 2-amino-3-nitrophenol, 98%

28. Ctk3j0582

29. Kucwuafngcmzdb-uhfffaoysa-

30. Dtxsid70209063

31. Zld0021

32. Kucwuafngcmzdb-uhfffaoysa-n

33. Molport-001-760-699

34. Ac1q5170

35. Act00508

36. Ks-000009qx

37. Zinc4272219

38. Anw-33491

39. Geo-00189

40. Akos005137906

41. Ac-2563

42. Cs-w008642

43. Mcule-9530238983

44. Ps-3734

45. Rp21817

46. Rtc-060754

47. Tra0062379

48. Aj-50034

49. Ak-26168

50. An-13860

51. Br-26168

52. Cj-11799

53. Kb-19774

54. Sc-05651

55. Sy002063

56. Ab0011073

57. Db-027729

58. Ls-188167

59. St2409483

60. Tc-060754

61. Tl8002257

62. 4ch-016010

63. Am20080638

64. Bg01499760

65. Ft-0632506

66. En300-39941

67. M-3129

68. 164748-ep2270006a1

69. 164748-ep2281819a1

70. 603a850

71. I01-4369

72. Q-200230

73. Z1245635848

74. Inchi=1/c6h6n2o3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9h,7h2

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 154.125 g/mol
Molecular Formula C6H6N2O3
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass154.038 g/mol
Monoisotopic Mass154.038 g/mol
Topological Polar Surface Area92.1 A^2
Heavy Atom Count11
Formal Charge0
Complexity156
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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