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2D Structure
Also known as: 444731-73-1, 2,3-dimethyl-6-nitroindazole, 2,3-dimethyl-6-nitro-1h-indazole, 2h-indazole, 2,3-dimethyl-6-nitro-, Mfcd10703326, Schembl588588
Molecular Formula
C9H9N3O2
Molecular Weight
191.19  g/mol
InChI Key
JHGRUPGVUMAQQU-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,3-dimethyl-6-nitroindazole
2.1.2 InChI
InChI=1S/C9H9N3O2/c1-6-8-4-3-7(12(13)14)5-9(8)10-11(6)2/h3-5H,1-2H3
2.1.3 InChI Key
JHGRUPGVUMAQQU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C2C=CC(=CC2=NN1C)[N+](=O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 444731-73-1

2. 2,3-dimethyl-6-nitroindazole

3. 2,3-dimethyl-6-nitro-1h-indazole

4. 2h-indazole, 2,3-dimethyl-6-nitro-

5. Mfcd10703326

6. Schembl588588

7. Dtxsid20440323

8. Act04825

9. Bcp12567

10. Cs-m3239

11. 6-nitro-2,3-dimethyl-2h-indazole

12. Zinc19045402

13. Akos006302978

14. Pb28185

15. Ac-26988

16. Ds-17646

17. Sy033490

18. Am20040488

19. Ft-0684741

20. 731d731

21. J-507031

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 191.19 g/mol
Molecular Formula C9H9N3O2
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass191.069476538 g/mol
Monoisotopic Mass191.069476538 g/mol
Topological Polar Surface Area63.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity241
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1