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    151103-09-2

    PharmaCompass
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    2D Structure
    Also known as: 151103-09-2, 4-(difluoromethoxy)-3-(cyclopropylmethoxy)benzaldehyde, 4-(difluoromethoxy)-3-(cyclopropylmethoxy)-benzaldehyde, Benzaldehyde, 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-, Roflumilast intermediate a, Mfcd07779381
    Molecular Formula
    C12H12F2O3
    Molecular Weight
    242.22  g/mol
    InChI Key
    AHVVCELVGCPYGI-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzaldehyde
    2.1.2 InChI
    InChI=1S/C12H12F2O3/c13-12(14)17-10-4-3-9(6-15)5-11(10)16-7-8-1-2-8/h3-6,8,12H,1-2,7H2
    2.1.3 InChI Key
    AHVVCELVGCPYGI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC1COC2=C(C=CC(=C2)C=O)OC(F)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 151103-09-2

    2. 4-(difluoromethoxy)-3-(cyclopropylmethoxy)benzaldehyde

    3. 4-(difluoromethoxy)-3-(cyclopropylmethoxy)-benzaldehyde

    4. Benzaldehyde, 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-

    5. Roflumilast Intermediate A

    6. Mfcd07779381

    7. 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzaldehyde

    8. 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzaldehyde;roflumilast Intermediate

    9. Roflumilast Intermediate

    10. Schembl832611

    11. Dtxsid10597012

    12. Bcp07145

    13. Zinc59796790

    14. Akos015891175

    15. Am84469

    16. Cs-w006995

    17. Ac-29997

    18. Ds-14538

    19. Sy042624

    20. Ft-0660889

    21. A24676

    22. 3-cyclopropylmethoxy-4difluoromethoxybenzaldehyde

    23. 103d092

    24. 3-cyclopropylmethoxy 4-difluoromethoxy Benzaldehyde

    25. 3-cyclopropylmethoxy-4-difluoromethoxy Benzaldehyde

    26. 3-cyclopropylmethoxy-4-difluoromethoxybenzaldehyde

    27. A1-00023

    28. J-513714

    2.3 Create Date
    2007-12-04
    3 Chemical and Physical Properties
    Molecular Weight 242.22 g/mol
    Molecular Formula C12H12F2O3
    XLogP33
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass242.07545056 g/mol
    Monoisotopic Mass242.07545056 g/mol
    Topological Polar Surface Area35.5 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity256
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1