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Also known as: 110683-23-3, 8-amino-2-(1h-tetrazol-5-yl)-4h-chromen-4-one hydrochloride, 8-amino-2-(2h-tetrazol-5-yl)-4h-1-benzopyran-4-one hydrochloride, 8-amino-4-oxo-2-(tetrazol-5-yl)-4h-1-benzopyran hcl, 8-amino-2-(2h-tetrazol-5-yl)chromen-4-one;hydrochloride, Schembl3378814
Molecular Formula
C10H8ClN5O2
Molecular Weight
265.65  g/mol
InChI Key
QRLFWVLMJYJYCQ-UHFFFAOYSA-N

CAS 110683-23-3
1 2D Structure

CAS 110683-23-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
8-amino-2-(2H-tetrazol-5-yl)chromen-4-one;hydrochloride
2.1.2 InChI
InChI=1S/C10H7N5O2.ClH/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);1H
2.1.3 InChI Key
QRLFWVLMJYJYCQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C(=C1)N)OC(=CC2=O)C3=NNN=N3.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 110683-23-3

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

3. 8-amino-2-(2h-tetrazol-5-yl)-4h-1-benzopyran-4-one Hydrochloride

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

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

6. Schembl3378814

7. 8-amino-2-(2h-tetrazol-5-yl)chromen-4-one,hydrochloride

8. Amy8926

9. Dtxsid30549396

10. Mfcd09907720

11. Mfcd16621729

12. Akos015918178

13. Akos016007823

14. Ds-4431

15. Sy060851

16. Db-060023

17. Cs-0441153

18. Ft-0660490

19. F13961

20. A850988

21. 8-amino-2-(2h-tetrazol-5-yl)-4h-chromen-4-one Hcl

22. 8-amino-2-(2h-tetrazol-5-yl)-chromen-4-one Hydrochloride

23. 8-amino-2-(2h-tetrazol-5-yl)-4h-chromen-4-onehydrochloride

24. Amino-2-(2h-tetrazol-5-yl)-4h-chromen-4-one Hydrochloride

25. 8-amino-2-(1h-tetrazol-5-yl)-4h-1-benzopyran-4-one Hydrochloride

26. 8-amino-2-(1h-tetrazol-5-yl)-4h-1-benzopyran-4-one,monohydrochloride

27. 8-amino-2-(2h-tetrazol-5-yl)-4h-1-benzopyran-4-one--hydrogen Chloride (1/1)

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 265.65 g/mol
Molecular Formula C10H8ClN5O2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass265.0366522 g/mol
Monoisotopic Mass265.0366522 g/mol
Topological Polar Surface Area107 Ų
Heavy Atom Count18
Formal Charge0
Complexity359
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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