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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

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