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Overview of CAS 603-87-2

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4CH-009982
PharmaCompass
  • Chemistry
4CH-009982
Also known as: 603-87-2, 2-nitro-6-aminophenol, Ccris 2545, Ak-67577, Nsc87541, Ac1nnubz
Molecular Formula
C6H6N2O3
Molecular Weight
154.125  g/mol
InChI Key
AACMNEWXGKOJJK-UHFFFAOYSA-N

1 2D Structure

4CH-009982

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

1. 603-87-2

2. 2-nitro-6-aminophenol

3. Ccris 2545

4. Ak-67577

5. Nsc87541

6. Ac1nnubz

7. 2-amino-6-nitro Phenol

8. Phenol,2-amino-6-nitro-

9. 2-hydroxy-3-nitro-aniline

10. Schembl1029956

11. 2-amino-6-nitro-phenol

12. Ctk5b1415

13. Ks-00000oaw

14. 2-hydroxy-3-nitroaniline

15. Dtxsid30209064

16. Aacmnewxgkojjk-uhfffaoysa-n

17. Molport-004-968-022

18. Anw-57579

19. Fch846490

20. Mfcd02751769

21. Nsc-87541

22. Zinc35974094

23. Akos006279428

24. Ab12699

25. Cs-w006667

26. Mcule-9113371168

27. Mp-1352

28. Rp01832

29. Ac-24381

30. Aj-92306

31. Cj-18853

32. Kb-20236

33. Ab0041782

34. Ax8208141

35. Ls-188166

36. Tc-146324

37. 4ch-009982

38. Ft-0660848

39. St24027752

40. Y9591

41. Az0001-0319

42. J-508012

2.3 Create Date
2005-03-26
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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