CAS 57531-37-0

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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

CAS 57531-37-0

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 Formula	C₃H₂ClN₃O₂
Molecular Weight	147.52 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	74.5
Heavy Atom Count	9
Formal Charge	0
Complexity	125
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