CAS 261953-36-0

1 2D Structure

CAS 261953-36-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-iodo-1H-indazole

2.1.2 InChI

InChI=1S/C7H5IN2/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10)

2.1.3 InChI Key

RSGAXJZKQDNFEP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC2=C(C=C1I)NN=C2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 261953-36-0

2. 6-iodoindazole

3. 1h-indazole, 6-iodo-

4. Mfcd04114695

5. 6-iodo(1h)indazole

6. Ec 607-884-2

7. Schembl1141578

8. Schembl17696315

9. Dtxsid60514491

10. Bcp00928

11. Cs-d0910

12. Zinc14983495

13. Akos015853878

14. 6-iodoindazole;1h-indazole, 6-iodo-

15. Ds-2696

16. Pb29317

17. Ac-23729

18. Sy020603

19. Db-011632

20. A5203

21. Am20040046

22. Ft-0647772

23. I0933

24. 953i360

25. J-518802

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₇H₅IN₂
Molecular Weight	244.03 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	243.94975 g/mol
Monoisotopic Mass	243.94975 g/mol
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	129
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

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CAS 261953-36-0

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