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    BUILDING BLOCK

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    Chemistry

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    Also known as: 91714-51-1, 3-chloro-7-(4-bromobenzoyl)indole, (4-bromophenyl)(3-chloro-1h-indol-7-yl)methanone, Methanone, (4-bromophenyl)(3-chloro-1h-indol-7-yl)-, 7-(4-bromobenzoyl)-3-chloro-1h-indole, 7-(4-bromobenzoyl)-3-chloroindole
    Molecular Formula
    C15H9BrClNO
    Molecular Weight
    334.59  g/mol
    InChI Key
    AQGAUDHKENVWGE-UHFFFAOYSA-N
    FDA UNII
    ZCT97MC8E4
    CAS 91714-51-1
    1 2D Structure

    CAS 91714-51-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4-bromophenyl)-(3-chloro-1H-indol-7-yl)methanone
    2.1.2 InChI
    InChI=1S/C15H9BrClNO/c16-10-6-4-9(5-7-10)15(19)12-3-1-2-11-13(17)8-18-14(11)12/h1-8,18H
    2.1.3 InChI Key
    AQGAUDHKENVWGE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C(=C1)C(=O)C3=CC=C(C=C3)Br)NC=C2Cl
    2.2 Other Identifiers
    2.2.1 UNII
    ZCT97MC8E4
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 91714-51-1

    2. 3-chloro-7-(4-bromobenzoyl)indole

    3. (4-bromophenyl)(3-chloro-1h-indol-7-yl)methanone

    4. Methanone, (4-bromophenyl)(3-chloro-1h-indol-7-yl)-

    5. 7-(4-bromobenzoyl)-3-chloro-1h-indole

    6. 7-(4-bromobenzoyl)-3-chloroindole

    7. Zct97mc8e4

    8. Bcp29808

    9. Akos000280164

    10. (4-bromophenyl)-(3-chloro-1h-indol-7-yl)methanone

    11. (4-bromo-phenyl)-(3-chloro-1h-indol-7-yl)-methanone;methanone, (4-bromophenyl)(3-chloro-1h-indol-7-yl)-;3-chloro-7-(4-bromobenzoyl)-indole

    2.4 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 334.59 g/mol
    Molecular Formula C15H9BrClNO
    XLogP34.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area32.9
    Heavy Atom Count19
    Formal Charge0
    Complexity343
    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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