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    Technical details about CAS 13036-57-2, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 13036-57-2

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    2D Structure
    1. Also known as: 13036-57-2, 2-chloro-4-methyl-pyrimidine, Pyrimidine, 2-chloro-4-methyl-, Mfcd00054434, 4-methyl-2-chloropyrimidine, Chloro-6 methylpyrimidine
    Molecular Formula
    C5H5ClN2
    Molecular Weight
    128.56  g/mol
    InChI Key
    BHAKRVSCGILCEW-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-chloro-4-methylpyrimidine
    2.1.2 InChI
    InChI=1S/C5H5ClN2/c1-4-2-3-7-5(6)8-4/h2-3H,1H3
    2.1.3 InChI Key
    BHAKRVSCGILCEW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=NC(=NC=C1)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 13036-57-2

    2. 2-chloro-4-methyl-pyrimidine

    3. Pyrimidine, 2-chloro-4-methyl-

    4. Mfcd00054434

    5. 4-methyl-2-chloropyrimidine

    6. Chloro-6 Methylpyrimidine

    7. 2-chloro-4-methyl Pyrimidine

    8. 4-methyl-2-chloro-pyrimidine

    9. Schembl108558

    10. 4-methyl-2-pyrimidinylchloride

    11. Dtxsid40469672

    12. Bhakrvscgilcew-uhfffaoysa-n

    13. Cs-d1513

    14. 2-chloro-4-methylpyrimidine, 97%

    15. Sc2231

    16. Akos000283811

    17. Ac-6943

    18. Fa-0251

    19. Pb14106

    20. 2-chloro-4-methylpyrimidine, Aldrichcpr

    21. Sy005393

    22. Am20080213

    23. C2631

    24. Ft-0600383

    25. En300-66622

    26. W-201031

    27. Z1065586248

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 128.56 g/mol
    Molecular Formula C5H5ClN2
    XLogP31.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area25.8
    Heavy Atom Count8
    Formal Charge0
    Complexity76.8
    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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