CAS 6322-56-1

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

Virtual Booth

Contact Supplier

Munit offers scalable GMP micronization and particle size engineering to enhance drug solubility, bioavailability, and performance.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 11 Related Intermediates

1 Suppliers
1 End Use APIs
11 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

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