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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 20191-75-7, 2-amino-1-bromonaphthalene, 1-bromo-2-naphthylamine, Mfcd00086888, C10h8brn, 1-bromo-2-aminonaphthalene
    Molecular Formula
    C10H8BrN
    Molecular Weight
    222.08  g/mol
    InChI Key
    WENXBAFANCRIGK-UHFFFAOYSA-N
    CAS 20191-75-7
    1 2D Structure

    CAS 20191-75-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-bromonaphthalen-2-amine
    2.1.2 InChI
    InChI=1S/C10H8BrN/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6H,12H2
    2.1.3 InChI Key
    WENXBAFANCRIGK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)C=CC(=C2Br)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 20191-75-7

    2. 2-amino-1-bromonaphthalene

    3. 1-bromo-2-naphthylamine

    4. Mfcd00086888

    5. C10h8brn

    6. 1-bromo-2-aminonaphthalene

    7. Schembl1913838

    8. Dtxsid90446473

    9. Zinc410012

    10. Akos016368756

    11. Mb00604

    12. Ns-02705

    13. Db-083606

    14. Cs-0135297

    15. Ft-0715550

    16. F13243

    17. A852909

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 222.08 g/mol
    Molecular Formula C10H8BrN
    XLogP33.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass220.98401 g/mol
    Monoisotopic Mass220.98401 g/mol
    Topological Polar Surface Area26 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity160
    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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