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    Chemistry

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    Also known as: 1006376-62-0, (1r,2r)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide, (1r,2r)-2-(3,4-difluorophenyl)cyclopropane carboxamide, 1006614-51-2, Rel-(1r,2r)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide, Schembl2397845
    Molecular Formula
    C10H9F2NO
    Molecular Weight
    197.18  g/mol
    InChI Key
    PYEJQVYISBUGDU-NKWVEPMBSA-N
    CAS 1006376-62-0
    1 2D Structure

    CAS 1006376-62-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
    2.1.2 InChI
    InChI=1S/C10H9F2NO/c11-8-2-1-5(3-9(8)12)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H2,13,14)/t6-,7+/m0/s1
    2.1.3 InChI Key
    PYEJQVYISBUGDU-NKWVEPMBSA-N
    2.1.4 Canonical SMILES
    C1C(C1C(=O)N)C2=CC(=C(C=C2)F)F
    2.1.5 Isomeric SMILES
    C1[C@H]([C@@H]1C(=O)N)C2=CC(=C(C=C2)F)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1006376-62-0

    2. (1r,2r)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide

    3. (1r,2r)-2-(3,4-difluorophenyl)cyclopropane Carboxamide

    4. 1006614-51-2

    5. Rel-(1r,2r)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide

    6. Schembl2397845

    7. Amy3282

    8. Dtxsid30657804

    9. Mfcd22380631

    10. Ac-32549

    11. Cs-15280

    12. Cs-0009935

    13. I11942

    2.3 Create Date
    2009-09-08
    3 Chemical and Physical Properties
    Molecular Weight 197.18 g/mol
    Molecular Formula C10H9F2NO
    XLogP31.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area43.1
    Heavy Atom Count14
    Formal Charge0
    Complexity246
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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