CAS 110683-23-3

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3 End Use APIs
9 Related Intermediates

Chemistry

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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

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 Formula	C₁₀H₈ClN₅O₂
Molecular Weight	265.65 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	265.0366522 g/mol
Monoisotopic Mass	265.0366522 g/mol
Topological Polar Surface Area	107 Å²
Heavy Atom Count	18
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	2