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2D Structure
Also known as: 57531-37-0, 2-chloro-4-nitroimidazole, Dtxsid90206150, Dtxcid90128641, 611-554-3, 2-chloro-5-nitroimidazole
Molecular Formula
C3H2ClN3O2
Molecular Weight
147.52  g/mol
InChI Key
BOJZBRDIZUHTCE-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloro-5-nitro-1H-imidazole
2.1.2 InChI
InChI=1S/C3H2ClN3O2/c4-3-5-1-2(6-3)7(8)9/h1H,(H,5,6)
2.1.3 InChI Key
BOJZBRDIZUHTCE-UHFFFAOYSA-N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 57531-37-0

2. 2-chloro-4-nitroimidazole

3. Dtxsid90206150

4. Dtxcid90128641

5. 611-554-3

6. 2-chloro-5-nitroimidazole

7. 2-chloro-5-nitro-1h-imidazole

8. Mfcd03419295

9. 1h-imidazole, 2-chloro-4-nitro-

10. Nitrochloroimidazole

11. 2-chloro-5-nitro-1h-imidazole; 2-chloro-4(5)-nitroimidazole; 2-chloro-4-nitro-1h-imidazole; 2-chloro-4-nitroimidazole; P21;

12. Schembl58560

13. Bojzbrdizuhtce-uhfffaoysa-n

14. Bbl104426

15. Stk505561

16. Akos000321249

17. Akos015833831

18. Ac-6400

19. Cs-w018201

20. Fc20104

21. Ps-4408

22. Sb14865

23. Sy011512

24. Db-012300

25. Ns00033742

26. En300-134613

27. 2-chloro-5-nitro-1h-imidazole;2-chloro-4(5)-nitroimidazole;2-chloro-4-nitro-1h-imidazole

2.3 Create Date
2005-07-10
3 Chemical and Physical Properties
Molecular Weight 147.52 g/mol
Molecular Formula C3H2ClN3O2
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area74.5
Heavy Atom Count9
Formal Charge0
Complexity125
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1