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    BUILDING BLOCK

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    Chemistry

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    Also known as: 1363380-51-1, Rwd7hzn2fr, Mfcd22415211, Pyrazolo[1,5-a]pyrimidine, 5-chloro-3-nitro-, 5-chloro-3-nitropyrazolo(1,5-a)pyrimidine, Pyrazolo(1,5-a)pyrimidine, 5-chloro-3-nitro-
    Molecular Formula
    C6H3ClN4O2
    Molecular Weight
    198.57  g/mol
    InChI Key
    VYEUPRYCLWAOMU-UHFFFAOYSA-N
    FDA UNII
    RWD7HZN2FR
    CAS 1363380-51-1
    1 2D Structure

    CAS 1363380-51-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-chloro-3-nitropyrazolo[1,5-a]pyrimidine
    2.1.2 InChI
    InChI=1S/C6H3ClN4O2/c7-5-1-2-10-6(9-5)4(3-8-10)11(12)13/h1-3H
    2.1.3 InChI Key
    VYEUPRYCLWAOMU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CN2C(=C(C=N2)[N+](=O)[O-])N=C1Cl
    2.2 Other Identifiers
    2.2.1 UNII
    RWD7HZN2FR
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1363380-51-1

    2. Rwd7hzn2fr

    3. Mfcd22415211

    4. Pyrazolo[1,5-a]pyrimidine, 5-chloro-3-nitro-

    5. 5-chloro-3-nitropyrazolo(1,5-a)pyrimidine

    6. Pyrazolo(1,5-a)pyrimidine, 5-chloro-3-nitro-

    7. Unii-rwd7hzn2fr

    8. Schembl17747503

    9. Amy12415

    10. Bcp20765

    11. Cs-m3730

    12. Zinc95629931

    13. Akos025290106

    14. Pb11789

    15. Ac-30672

    16. As-34439

    17. Sy098177

    18. A904869

    2.4 Create Date
    2013-12-27
    3 Chemical and Physical Properties
    Molecular Weight 198.57 g/mol
    Molecular Formula C6H3ClN4O2
    XLogP31.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count0
    Exact Mass197.9944530 g/mol
    Monoisotopic Mass197.9944530 g/mol
    Topological Polar Surface Area76 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity221
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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