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    Chemistry

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    Also known as: 60099-09-4, Benzyl-formimidate hydrochloride, Benzylformimidatehydrochloride, Schembl4215555, Benzyl methanimidate;hydrochloride, Akos015891589
    Molecular Formula
    C8H10ClNO
    Molecular Weight
    171.62  g/mol
    InChI Key
    LSNKBVFMXFAUOF-UHFFFAOYSA-N
    CAS 60099-09-4
    1 2D Structure

    CAS 60099-09-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    benzyl methanimidate;hydrochloride
    2.1.2 InChI
    InChI=1S/C8H9NO.ClH/c9-7-10-6-8-4-2-1-3-5-8;/h1-5,7,9H,6H2;1H
    2.1.3 InChI Key
    LSNKBVFMXFAUOF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)COC=N.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 60099-09-4

    2. Benzyl-formimidate Hydrochloride

    3. Benzylformimidatehydrochloride

    4. Schembl4215555

    5. Benzyl Methanimidate;hydrochloride

    6. Akos015891589

    7. Ft-0688513

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 171.62 g/mol
    Molecular Formula C8H10ClNO
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass171.0450916 g/mol
    Monoisotopic Mass171.0450916 g/mol
    Topological Polar Surface Area33.1 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity97.4
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

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