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    Chemistry

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    Also known as: 1421920-61-7, Methyl 3-fluoroazetidine-3-carboxylate;hydrochloride, Methyl 3-fluoroazetidine-3-carboxylate hcl, Mfcd27988017, Schembl14677073, Wgc92061
    Molecular Formula
    C5H9ClFNO2
    Molecular Weight
    169.58  g/mol
    InChI Key
    LXRPGQJMUPHTPM-UHFFFAOYSA-N
    CAS 1421920-61-7
    1 2D Structure

    CAS 1421920-61-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 3-fluoroazetidine-3-carboxylate;hydrochloride
    2.1.2 InChI
    InChI=1S/C5H8FNO2.ClH/c1-9-4(8)5(6)2-7-3-5;/h7H,2-3H2,1H3;1H
    2.1.3 InChI Key
    LXRPGQJMUPHTPM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C1(CNC1)F.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1421920-61-7

    2. Methyl 3-fluoroazetidine-3-carboxylate;hydrochloride

    3. Methyl 3-fluoroazetidine-3-carboxylate Hcl

    4. Mfcd27988017

    5. Schembl14677073

    6. Wgc92061

    7. Sb20372

    8. As-34571

    9. Cs-0049098

    10. Methyl3-fluoroazetidine-3-carboxylatehydrochloride

    11. 3-azetidinecarboxylic Acid, 3-fluoro-, Methyl Ester, Hydrochloride (1:1)

    2.3 Create Date
    2015-02-13
    3 Chemical and Physical Properties
    Molecular Weight 169.58 g/mol
    Molecular Formula C5H9ClFNO2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass169.0305844 g/mol
    Monoisotopic Mass169.0305844 g/mol
    Topological Polar Surface Area38.3 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity133
    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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