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    CAS 110683-23-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    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

    2D Structure

    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