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    Technical details about CAS 881674-56-2, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 881674-56-2

    BUILDING BLOCK

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    2D Structure
    Also known as: 881674-56-2, 1h-pyrrole-3-carboxaldehyde, 5-(2-fluorophenyl)-, 5-(2-fluorophenyl)-1h-pyrrole-3-carboxaldehyde, Mfcd11875867, 5-(2-fluorophenyl)pyrrole-3-carbaldehyde, Ec 809-913-6
    Molecular Formula
    C11H8FNO
    Molecular Weight
    189.19  g/mol
    InChI Key
    MQULPEUCGKEHEG-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde
    2.1.2 InChI
    InChI=1S/C11H8FNO/c12-10-4-2-1-3-9(10)11-5-8(7-14)6-13-11/h1-7,13H
    2.1.3 InChI Key
    MQULPEUCGKEHEG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C(=C1)C2=CC(=CN2)C=O)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 881674-56-2

    2. 1h-pyrrole-3-carboxaldehyde, 5-(2-fluorophenyl)-

    3. 5-(2-fluorophenyl)-1h-pyrrole-3-carboxaldehyde

    4. Mfcd11875867

    5. 5-(2-fluorophenyl)pyrrole-3-carbaldehyde

    6. Ec 809-913-6

    7. C11h8fno

    8. Schembl193886

    9. Dtxsid501250112

    10. Amy16479

    11. Bcp09257

    12. Zinc95933397

    13. Akos022184942

    14. Cs-w004473

    15. Ds-3369

    16. Sb17906

    17. Ac-28753

    18. Sy047488

    19. 5-(2-fluorophenyl)pyrrole-3-carboxaldehyde

    20. F1074

    21. Ft-0701321

    22. 5-(2-fluorophenyl)-1h-pyrrol-3-carboxaldehyde

    23. 1h-pyrrole-3-carboxaldehyde,5-(2-fluorophenyl)-

    2.3 Create Date
    2010-10-11
    3 Chemical and Physical Properties
    Molecular Weight 189.19 g/mol
    Molecular Formula C11H8FNO
    XLogP31.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass189.058992041 g/mol
    Monoisotopic Mass189.058992041 g/mol
    Topological Polar Surface Area32.9 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity210
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1