CAS 97-51-8

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Also known as: 5-nitrosalicylaldehyde, 97-51-8, Benzaldehyde, 2-hydroxy-5-nitro-, Salicylaldehyde, 5-nitro-, Mfcd00007337, 2-hydroxy-5-nitro-benzaldehyde

Molecular Formula

C₇H₅NO₄

Molecular Weight

167.12 g/mol

InChI Key

IHFRMUGEILMHNU-UHFFFAOYSA-N

1 2D Structure

CAS 97-51-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-hydroxy-5-nitrobenzaldehyde

2.1.2 InChI

InChI=1S/C7H5NO4/c9-4-5-3-6(8(11)12)1-2-7(5)10/h1-4,10H

2.1.3 InChI Key

IHFRMUGEILMHNU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C=O)O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 5-nitrosalicylaldehyde

2. 5-nitrosalicylaldehyde Potassium

2.2.2 Depositor-Supplied Synonyms

1. 5-nitrosalicylaldehyde

2. 97-51-8

3. Benzaldehyde, 2-hydroxy-5-nitro-

4. Salicylaldehyde, 5-nitro-

5. Mfcd00007337

6. 2-hydroxy-5-nitro-benzaldehyde

7. Nsc 881

8. Einecs 202-587-0

9. 5-nitro Salicylaldehdye

10. Ai3-52608

11. 5-nitro Salicylaldehyde

12. Unii-zj6ggt3k66

13. Zj6ggt3k66

14. Oprea1_813586

15. Schembl79298

16. 2-hydroxy 5-nitrobenzaldehyde

17. 5-nitro-2-hydroxybenzaldehyde

18. 5-nitro-2-hydroxy-benzaldehyde

19. Nsc881

20. Chembl3660344

21. Dtxsid6059154

22. Nsc-881

23. Bdbm111008

24. Amy31519

25. Cs-m1907

26. Bbl000323

27. Geo-01539

28. Stk346021

29. Zinc49538688

30. 2-hydroxy-5-nitrobenzaldehyde, 98%

31. Akos000108208

32. Ac-3345

33. Ps-6254

34. Sy004427

35. Db-004004

36. Bb 0245783

37. Ft-0620721

38. N0255

39. En300-18390

40. 97n518

41. F11283

42. Ah-034/32841024

43. 2-hydroxy-5-nitrobenzaldehyde;5-nitrosalicylaldehyde

44. Q-200288

45. Us8614253, .3-39

46. F2191-0160

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₅NO₄
Molecular Weight	167.12 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	167.02185764 g/mol
Monoisotopic Mass	167.02185764 g/mol
Topological Polar Surface Area	83.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	188
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