4CH-009982

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Also known as: 603-87-2, 2-nitro-6-aminophenol, 83a52nu8ta, Mfcd02751769, Nsc-87541, Ccris 2545

Molecular Formula

C₆H₆N₂O₃

Molecular Weight

154.12 g/mol

InChI Key

AACMNEWXGKOJJK-UHFFFAOYSA-N

FDA UNII

83A52NU8TA

1 2D Structure

CAS 603-87-2

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 Other Identifiers

2.2.1 UNII

83A52NU8TA

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 603-87-2

2. 2-nitro-6-aminophenol

3. 83a52nu8ta

4. Mfcd02751769

5. Nsc-87541

6. Ccris 2545

7. Nsc87541

8. 2-amino-6-nitro Phenol

9. 2-hydroxy-3-nitro-aniline

10. Phenol, 2-amino-6-nitro-

11. Unii-83a52nu8ta

12. Schembl1029956

13. 2-amino-6-nitro-phenol

14. Dtxsid30209064

15. Nitro-6-aminophenol, 2-

16. Nsc 87541

17. Zinc35974094

18. Akos006279428

19. Ab12699

20. Cs-w006667

21. Ac-24381

22. As-33265

23. Ft-0660848

24. A846225

25. J-508012

26. Phenol, 2-amino-6-nitro-; 2-amino-6-nitrophenol;

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₆N₂O₃
Molecular Weight	154.12 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	154.03784206 g/mol
Monoisotopic Mass	154.03784206 g/mol
Topological Polar Surface Area	92.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	156
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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