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    BUILDING BLOCK

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    Chemistry

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    Also known as: 1032452-86-0, 3-(2-chloropyrimidin-4-yl)-1-methylindole, 3-(2-chloro-4-pyrimidyl)-1-methylindole, Mfcd26397861, 3-(2-chloro-4-pyrimidinyl)-1-methyl-1h-indole, 1,1-ferrocenedicarboxaldehyde
    Molecular Formula
    C13H10ClN3
    Molecular Weight
    243.69  g/mol
    InChI Key
    IIBWXYHPBMUNJP-UHFFFAOYSA-N
    CAS 1032452-86-0
    1 2D Structure

    CAS 1032452-86-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(2-chloropyrimidin-4-yl)-1-methylindole
    2.1.2 InChI
    InChI=1S/C13H10ClN3/c1-17-8-10(9-4-2-3-5-12(9)17)11-6-7-15-13(14)16-11/h2-8H,1H3
    2.1.3 InChI Key
    IIBWXYHPBMUNJP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1032452-86-0

    2. 3-(2-chloropyrimidin-4-yl)-1-methylindole

    3. 3-(2-chloro-4-pyrimidyl)-1-methylindole

    4. Mfcd26397861

    5. 3-(2-chloro-4-pyrimidinyl)-1-methyl-1h-indole

    6. 1,1-ferrocenedicarboxaldehyde

    7. Amy442

    8. Schembl5096322

    9. Cs-b0929

    10. Akos027250595

    11. Zinc142497630

    12. Sb15000

    13. Ac-30107

    14. Ds-11451

    15. Sy040537

    16. Ft-0777981

    17. 3-(2-chloropyrimidin-4-yl)-1-methyl-indole

    18. Y10231

    19. 3-(2-chloro-pyrimidin-4-yl)-1-methyl-1h-indole

    2.3 Create Date
    2012-08-20
    3 Chemical and Physical Properties
    Molecular Weight 243.69 g/mol
    Molecular Formula C13H10ClN3
    XLogP32.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass243.0563250 g/mol
    Monoisotopic Mass243.0563250 g/mol
    Topological Polar Surface Area30.7 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity273
    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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