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    BUILDING BLOCK

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    Chemistry

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    Also known as: 1954693-13-0, 1585969-17-0, 5-bromo-2-(5-bromo-2,3-dihydro-1h-indol-2-yl)phenol, Tqp0847, Bcp20018, Bcp20090
    Molecular Formula
    C14H11Br2NO
    Molecular Weight
    369.05  g/mol
    InChI Key
    UEUDUQLMNBTXFJ-UHFFFAOYSA-N
    CAS 1585969-17-0
    1 2D Structure

    CAS 1585969-17-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-bromo-2-(5-bromo-2,3-dihydro-1H-indol-2-yl)phenol
    2.1.2 InChI
    InChI=1S/C14H11Br2NO/c15-9-2-4-12-8(5-9)6-13(17-12)11-3-1-10(16)7-14(11)18/h1-5,7,13,17-18H,6H2
    2.1.3 InChI Key
    UEUDUQLMNBTXFJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C(NC2=C1C=C(C=C2)Br)C3=C(C=C(C=C3)Br)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1954693-13-0

    2. 1585969-17-0

    3. 5-bromo-2-(5-bromo-2,3-dihydro-1h-indol-2-yl)phenol

    4. Tqp0847

    5. Bcp20018

    6. Bcp20090

    7. Cs-b1724

    8. Cs-15326

    9. C13288

    10. Phenol, 5-bromo-2-[(2r)-5-bromo-2,3-dihydro-1h-indol-2-yl]-

    2.3 Create Date
    2017-01-25
    3 Chemical and Physical Properties
    Molecular Weight 369.05 g/mol
    Molecular Formula C14H11Br2NO
    XLogP34.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass368.91869 g/mol
    Monoisotopic Mass366.92074 g/mol
    Topological Polar Surface Area32.3 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity302
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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