CAS 6322-56-1

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Also known as: 6322-56-1, Dtxsid60212586, Nsc 32113, Dtxcid90135077, Mmnkvwgvshrijl-uhfffaoysa-n, 4'-hydroxy-3'-nitroacetophenone

Molecular Formula

C₈H₇NO₄

Molecular Weight

181.15 g/mol

InChI Key

MMNKVWGVSHRIJL-UHFFFAOYSA-N

1 2D Structure

CAS 6322-56-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4-hydroxy-3-nitrophenyl)ethanone

2.1.2 InChI

InChI=1S/C8H7NO4/c1-5(10)6-2-3-8(11)7(4-6)9(12)13/h2-4,11H,1H3

2.1.3 InChI Key

MMNKVWGVSHRIJL-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6322-56-1

2. Dtxsid60212586

3. Nsc 32113

4. Dtxcid90135077

5. Mmnkvwgvshrijl-uhfffaoysa-n

6. 4'-hydroxy-3'-nitroacetophenone

7. 1-(4-hydroxy-3-nitrophenyl)ethanone

8. 4-acetyl-2-nitro-phenol

9. Ethanone, 1-(4-hydroxy-3-nitrophenyl)-

10. 1-(4-hydroxy-3-nitrophenyl)ethan-1-one

11. Mfcd00017002

12. 1-(4-hydroxy-3-nitro-phenyl)-ethanone

13. 4'-hydroxy-3'-nitroacetophenone, >95%

14. 4'-hydroxy-3'-nitroacetophenone, >95per Cent

15. 1-[4-hydroxy-3-nitrophenyl]ethanone

16. 1-(4-hydroxy-3-nitrophenyl)-1-ethanone

17. 2-nitro-4-acetylphenol

18. 4-acetyl-2-nitrophenol

19. 3'-nitro-4'-hydroxyacetophenone; 4-acetyl-2-nitrophenol; 4-hydroxy-3-nitroacetophenone; 1-(4-hydroxy-3-nitrophenyl)ethanone; 2-nitro-4-acetylphenol; Nsc 32113

20. Nsc32113

21. Schembl532487

22. Schembl17347336

23. 4-hydroxy-3-nitrophenyl-ethanone

24. 4`-hydroxy-3`-nitroacetophenone

25. Acetophenone, 4-hydroxy-3-nitro-

26. 4\'-hydroxy-3\'-nitroacetophenone

27. Nsc-32113

28. Stl282767

29. Akos000446959

30. Ac-4826

31. Cs-w017168

32. Fh24225

33. Hb-0708

34. 4'-hydroxy-3'-nitroacetophenone, 98%

35. Sy018588

36. H0968

37. Ns00035389

38. En300-115164

39. 4-hydroxy-3-nitroacetophenone; 3-nitro-4-hydroxy Acetophenone

40. 3'-nitro-4'-hydroxyacetophenone;4-acetyl-2-nitrophenol;4-hydroxy-3-nitroacetophenone

41. 4 Inverted Exclamation Mark -hydroxy-3 Inverted Exclamation Mark -nitroacetophenone

42. 4 Inverted Exclamation Marka-hydroxy-3 Inverted Exclamation Marka-nitroacetophenone

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₇NO₄
Molecular Weight	181.15 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	83.1
Heavy Atom Count	13
Formal Charge	0
Complexity	223
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