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    Chemistry

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    Also known as: 944896-67-7, Ethyl6-bromoimidazo[1,2-a]pyrimidine-2-carboxylate, 6-bromo-imidazo[1,2-a]pyrimidine-2-carboxylic acid ethyl ester, Schembl21004926, Mfcd09838962, Zb1348
    Molecular Formula
    C9H8BrN3O2
    Molecular Weight
    270.08  g/mol
    InChI Key
    IMKBFCDPIFTPLH-UHFFFAOYSA-N
    CAS 944896-67-7
    1 2D Structure

    CAS 944896-67-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 6-bromoimidazo[1,2-a]pyrimidine-2-carboxylate
    2.1.2 InChI
    InChI=1S/C9H8BrN3O2/c1-2-15-8(14)7-5-13-4-6(10)3-11-9(13)12-7/h3-5H,2H2,1H3
    2.1.3 InChI Key
    IMKBFCDPIFTPLH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=CN2C=C(C=NC2=N1)Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 944896-67-7

    2. Ethyl6-bromoimidazo[1,2-a]pyrimidine-2-carboxylate

    3. 6-bromo-imidazo[1,2-a]pyrimidine-2-carboxylic Acid Ethyl Ester

    4. Schembl21004926

    5. Mfcd09838962

    6. Zb1348

    7. Zinc35635546

    8. Akos017553094

    9. Ab53400

    10. As-68866

    11. Cs-0047129

    12. W15945

    13. 6-bromoimidazo[1,2-a]pyrimidine-2-carboxylic Acid Ethyl Ester

    14. Imidazo[1,2-a]pyrimidine-2-carboxylic Acid, 6-bromo-, Ethyl Ester

    2.3 Create Date
    2013-12-27
    3 Chemical and Physical Properties
    Molecular Weight 270.08 g/mol
    Molecular Formula C9H8BrN3O2
    XLogP32.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass268.97999 g/mol
    Monoisotopic Mass268.97999 g/mol
    Topological Polar Surface Area56.5 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity252
    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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