CAS 110683-22-2

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Also known as: 110683-22-2, 8-amino-2-(1h-tetrazol-5-yl)-4h-1-benzopyran-4-one, 8-amino-2-(2h-tetrazol-5-yl)chromen-4-one, 8-amino-4-oxo-2-(tetrazol-5-yl)-4h-1-benzopyran, 8-amino-2-(2h-tetrazol-5-yl)-4h-1-benzopyran-4-one, 8-amino-4-oxo-2-(tetrazol-5-yl)benzopyran

Molecular Formula

C₁₀H₇N₅O₂

Molecular Weight

229.19 g/mol

InChI Key

GSZQAIJMONCDFZ-UHFFFAOYSA-N

1 2D Structure

CAS 110683-22-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

8-amino-2-(2H-tetrazol-5-yl)chromen-4-one

2.1.2 InChI

InChI=1S/C10H7N5O2/c11-6-3-1-2-5-7(16)4-8(17-9(5)6)10-12-14-15-13-10/h1-4H,11H2,(H,12,13,14,15)

2.1.3 InChI Key

GSZQAIJMONCDFZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC2=C(C(=C1)N)OC(=CC2=O)C3=NNN=N3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 110683-22-2

2. 8-amino-2-(1h-tetrazol-5-yl)-4h-1-benzopyran-4-one

3. 8-amino-2-(2h-tetrazol-5-yl)chromen-4-one

4. 8-amino-4-oxo-2-(tetrazol-5-yl)-4h-1-benzopyran

5. 8-amino-2-(2h-tetrazol-5-yl)-4h-1-benzopyran-4-one

6. 8-amino-4-oxo-2-(tetrazol-5-yl)benzopyran

7. 8-amino-2-(tetrazol-5-yl)-1-benzopyran-4-one

8. 8-amino-4-oxo-2-(5-1h-tetrazolyl)-4h-1-benzopyran

9. 3'-hydroxy Stanozolol

10. Schembl3378970

11. Dtxsid90474135

12. Amy13424

13. Bcp16791

14. Mfcd08458726

15. Akos015896549

16. Akos016011261

17. Zinc100049856

18. Ac-1610

19. Ds-15099

20. Db-060022

21. Cs-0155803

22. Ft-0653352

23. Ft-0658686

24. 8-amino-2-(2h-tetrazol-5-yl)-chromen-4-one

25. F13960

26. 683a222

27. A802233

28. 5-(8-amino-4-oxo-4h-1-benzopyran-2-yl)tetrazole

29. J-002464

30. J-519361

31. 5-(8-amino-4-oxo-4h-1-benzopyran-2-yl)-tetrazole

32. 8-amino-2-(1h-tetrazole-5-yl)-gamma-chromene-4-one

33. 8-amino-2-(2h-tetrazol-5-yl)chromen-4-one Hydrochloride

34. 8-amino-2-(2h-1,2,3,4-tetrazol-5-yl)-4h-chromen-4-one

2.3 Create Date

2006-10-28

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₇N₅O₂
Molecular Weight	229.19 g/mol
XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	229.05997448 g/mol
Monoisotopic Mass	229.05997448 g/mol
Topological Polar Surface Area	107 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	359
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