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    Chemistry

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    Also known as: 127861-30-7, Nsc222736, 4-pyrimidinecarboxylic acid, 2-chloro-6-methoxy-, methyl ester, Schembl1760242, Dtxsid50310207, 2-chloro-6-methoxypyrimidine-4-carboxylic acid methyl ester
    Molecular Formula
    C7H7ClN2O3
    Molecular Weight
    202.59  g/mol
    InChI Key
    OBFFZLIOVNLYIL-UHFFFAOYSA-N
    CAS 127861-30-7
    1 2D Structure

    CAS 127861-30-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 2-chloro-6-methoxypyrimidine-4-carboxylate
    2.1.2 InChI
    InChI=1S/C7H7ClN2O3/c1-12-5-3-4(6(11)13-2)9-7(8)10-5/h3H,1-2H3
    2.1.3 InChI Key
    OBFFZLIOVNLYIL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=NC(=NC(=C1)C(=O)OC)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 127861-30-7

    2. Nsc222736

    3. 4-pyrimidinecarboxylic Acid, 2-chloro-6-methoxy-, Methyl Ester

    4. Schembl1760242

    5. Dtxsid50310207

    6. 2-chloro-6-methoxypyrimidine-4-carboxylic Acid Methyl Ester

    7. Cfa86130

    8. Zinc1756589

    9. Mfcd09952103

    10. Mb08267

    11. Nsc-222736

    12. Am806004

    13. As-39586

    14. Cs-0038749

    15. Methyl2-chloro-6-methoxypyrimidine-4-carboxylate

    16. 2-chloro-6-methoxy-pyrimidine-4-carboxylic Acid Methyl Ester

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 202.59 g/mol
    Molecular Formula C7H7ClN2O3
    XLogP31.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass202.0145198 g/mol
    Monoisotopic Mass202.0145198 g/mol
    Topological Polar Surface Area61.3 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity191
    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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