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    CAS 187543-87-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 187543-87-9, 5,6-difluoro-o-anisaldehyde, Mfcd02093968, Benzaldehyde, 2,3-difluoro-6-methoxy-, 2-methoxy-5,6-difluorobenzaldehyde, 2,3-difluoro-6-methoxy-benzaldehyde
    Molecular Formula
    C8H6F2O2
    Molecular Weight
    172.13  g/mol
    InChI Key
    AKOJAYHBKACKNJ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,3-difluoro-6-methoxybenzaldehyde
    2.1.2 InChI
    InChI=1S/C8H6F2O2/c1-12-7-3-2-6(9)8(10)5(7)4-11/h2-4H,1H3
    2.1.3 InChI Key
    AKOJAYHBKACKNJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C(=C(C=C1)F)F)C=O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 187543-87-9

    2. 5,6-difluoro-o-anisaldehyde

    3. Mfcd02093968

    4. Benzaldehyde, 2,3-difluoro-6-methoxy-

    5. 2-methoxy-5,6-difluorobenzaldehyde

    6. 2,3-difluoro-6-methoxy-benzaldehyde

    7. Schembl911855

    8. Dtxsid90378886

    9. Akojayhbkacknj-uhfffaoysa-n

    10. 2-methoxy-5,6-difluoro-benzaldehyde

    11. Akos005063514

    12. Cs-w017620

    13. Ps-8672

    14. 2,3-difluoro-6-(methyloxy)benzaldehyde

    15. Ac-23840

    16. Bp-11140

    17. Sy050714

    18. Am20080595

    19. D3885

    20. Ft-0609606

    21. En300-7361166

    22. A813155

    23. J-506956

    24. Z1201621607

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 172.13 g/mol
    Molecular Formula C8H6F2O2
    XLogP31.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area26.3
    Heavy Atom Count12
    Formal Charge0
    Complexity163
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1