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Also known as: 23056-39-5, 2-chloro-3-nitro-4-picoline, 2-chloro-3-nitro-4-methylpyridine, Pyridine, 2-chloro-4-methyl-3-nitro-, Mfcd00012347, Nsc402977
Molecular Formula
C6H5ClN2O2
Molecular Weight
172.57  g/mol
InChI Key
JHARVUVBTAAPLA-UHFFFAOYSA-N

CAS 23056-39-5
1 2D Structure

CAS 23056-39-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloro-4-methyl-3-nitropyridine
2.1.2 InChI
InChI=1S/C6H5ClN2O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3
2.1.3 InChI Key
JHARVUVBTAAPLA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C(=NC=C1)Cl)[N+](=O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 23056-39-5

2. 2-chloro-3-nitro-4-picoline

3. 2-chloro-3-nitro-4-methylpyridine

4. Pyridine, 2-chloro-4-methyl-3-nitro-

5. Mfcd00012347

6. Nsc402977

7. 2-chloro-3-nitro4-picoline

8. Schembl541578

9. Dtxsid30323072

10. 2-chlor-4-methyl-3-nitropyridin

11. Act01484

12. Bcp07287

13. Zinc1595321

14. Akos005145616

15. Ac-5434

16. Cs-w020672

17. Nsc 402977

18. Nsc-402977

19. Pb12972

20. Ps-4628

21. Sy008500

22. 2-chloro-4-methyl-3-nitropyridine, 99%

23. Db-005221

24. Am20070053

25. Ft-0601488

26. En300-77834

27. 056c395

28. W-206804

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 172.57 g/mol
Molecular Formula C6H5ClN2O2
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area58.7
Heavy Atom Count11
Formal Charge0
Complexity159
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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