CAS 1313372-75-6

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Also known as: 6494-19-5, 3-methyl-6-nitroindazole, 3-methyl-6-nitro-2h-indazole, 1313372-75-6, 3-methyl-6-nitro-indazole, 1h-indazole, 3-methyl-6-nitro-

Molecular Formula

C₈H₇N₃O₂

Molecular Weight

177.16 g/mol

InChI Key

FUNWSYKLFDLUIZ-UHFFFAOYSA-N

1 2D Structure

CAS 1313372-75-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-methyl-6-nitro-2H-indazole

2.1.2 InChI

InChI=1S/C8H7N3O2/c1-5-7-3-2-6(11(12)13)4-8(7)10-9-5/h2-4H,1H3,(H,9,10)

2.1.3 InChI Key

FUNWSYKLFDLUIZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C2C=CC(=CC2=NN1)[N+](=O)[O-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6494-19-5

2. 3-methyl-6-nitroindazole

3. 3-methyl-6-nitro-2h-indazole

4. 1313372-75-6

5. 3-methyl-6-nitro-indazole

6. 1h-indazole, 3-methyl-6-nitro-

7. 2h-indazole,3-methyl-6-nitro-

8. Mfcd07082704

9. Pazopanib Impurity 1

10. 6-nitro-3-methylindazole

11. Schembl588431

12. Dtxsid30448355

13. Act04824

14. Bcp18726

15. Cs-m3238

16. Zinc16677949

17. Akos006336244

18. Akos015842681

19. Akos034830315

20. Gs-3590

21. Pb24959

22. Sy017482

23. Db-128423

24. A8841

25. Am20050454

26. Cs-0166802

27. Ft-0649105

28. M2358

29. F20398

30. 494m195

31. J-512882

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₇N₃O₂
Molecular Weight	177.16 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	177.053826475 g/mol
Monoisotopic Mass	177.053826475 g/mol
Topological Polar Surface Area	74.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	216
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