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Also known as: 70315-70-7, 3-iodo-6-nitroindazole, 3-iodo-6-nitro-2h-indazole, 1h-indazole, 3-iodo-6-nitro-, 3-iodo-6-nitro (1h)indazole, Mfcd07781652
Molecular Formula
C7H4IN3O2
Molecular Weight
289.03  g/mol
InChI Key
GZCGNGLOCQEDMT-UHFFFAOYSA-N

CAS 70315-70-7
1 2D Structure

CAS 70315-70-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-iodo-6-nitro-2H-indazole
2.1.2 InChI
InChI=1S/C7H4IN3O2/c8-7-5-2-1-4(11(12)13)3-6(5)9-10-7/h1-3H,(H,9,10)
2.1.3 InChI Key
GZCGNGLOCQEDMT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(NN=C2C=C1[N+](=O)[O-])I
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 70315-70-7

2. 3-iodo-6-nitroindazole

3. 3-iodo-6-nitro-2h-indazole

4. 1h-indazole, 3-iodo-6-nitro-

5. 3-iodo-6-nitro (1h)indazole

6. Mfcd07781652

7. Schembl1176140

8. Dtxsid30499680

9. Bcp13975

10. Ar2396

11. Zinc14983610

12. Akos015898568

13. Cs-w010008

14. Gs-3910

15. Pb32533

16. Wt81986

17. 3-iodo-6-nitro-1h-indazole, Aldrichcpr

18. Ac-24363

19. Sy046621

20. A9280

21. Am20090680

22. Ft-0686006

23. I1004

24. 315i707

25. J-512694

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 289.03 g/mol
Molecular Formula C7H4IN3O2
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass288.93482 g/mol
Monoisotopic Mass288.93482 g/mol
Topological Polar Surface Area74.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity220
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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