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    BUILDING BLOCK

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    Chemistry

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    Also known as: 156755-23-6, 6-bromo-3,4-dihydro-4-phenyl-2h-1-benzopyran-2-one, 6-bromo-4-phenyl-3,4-dihydrochromen-2-one, Ec 923-250-0, Schembl725197, 6-bromo-4-phenyl-2-chromanone
    Molecular Formula
    C15H11BrO2
    Molecular Weight
    303.15  g/mol
    InChI Key
    KFKFQGCDFMGUCH-UHFFFAOYSA-N
    CAS 156755-23-6
    1 2D Structure

    CAS 156755-23-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-bromo-4-phenyl-3,4-dihydrochromen-2-one
    2.1.2 InChI
    InChI=1S/C15H11BrO2/c16-11-6-7-14-13(8-11)12(9-15(17)18-14)10-4-2-1-3-5-10/h1-8,12H,9H2
    2.1.3 InChI Key
    KFKFQGCDFMGUCH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C(C2=C(C=CC(=C2)Br)OC1=O)C3=CC=CC=C3
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 156755-23-6

    2. 6-bromo-3,4-dihydro-4-phenyl-2h-1-benzopyran-2-one

    3. 6-bromo-4-phenyl-3,4-dihydrochromen-2-one

    4. Ec 923-250-0

    5. Schembl725197

    6. 6-bromo-4-phenyl-2-chromanone

    7. Dtxsid80387841

    8. Cs-b0084

    9. Mfcd03686976

    10. Akos027383084

    11. (+/-)-6-bromo-4-phenylchroman-2-one

    12. 6-bromo-4-phenyl-3,4-dihydro-coumarine

    13. Cs-14111

    14. A18245

    15. 755b236

    16. Sr-01000250260

    17. Sr-01000250260-1

    18. 2h-1-benzopyran-2-one,6-bromo-3,4-dihydro-4-phenyl-,( Inverted Exclamation Marka)-

    2.3 Create Date
    2005-07-29
    3 Chemical and Physical Properties
    Molecular Weight 303.15 g/mol
    Molecular Formula C15H11BrO2
    XLogP33.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass301.99424 g/mol
    Monoisotopic Mass301.99424 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity312
    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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