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    Technical details about CAS 906673-54-9, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 906673-54-9

    Manufacturers/Suppliers

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

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    2D Structure
    1. Also known as: 906673-54-9, Ges8yn7rzc, 4-(4-bromo-3-formyl-phenoxy)-benzonitrile, Benzonitrile, 4-(4-bromo-3-formylphenoxy)-, Unii-ges8yn7rzc, Schembl18809237
    Molecular Formula
    C14H8BrNO2
    Molecular Weight
    302.12  g/mol
    InChI Key
    IEHZPKWXBVTRRG-UHFFFAOYSA-N
    FDA UNII
    GES8YN7RZC
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(4-bromo-3-formylphenoxy)benzonitrile
    2.1.2 InChI
    InChI=1S/C14H8BrNO2/c15-14-6-5-13(7-11(14)9-17)18-12-3-1-10(8-16)2-4-12/h1-7,9H
    2.1.3 InChI Key
    IEHZPKWXBVTRRG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C#N)OC2=CC(=C(C=C2)Br)C=O
    2.2 Other Identifiers
    2.2.1 UNII
    GES8YN7RZC
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 906673-54-9

    2. Ges8yn7rzc

    3. 4-(4-bromo-3-formyl-phenoxy)-benzonitrile

    4. Benzonitrile, 4-(4-bromo-3-formylphenoxy)-

    5. Unii-ges8yn7rzc

    6. Schembl18809237

    7. Dtxsid901021147

    8. Bcp24263

    9. Mfcd23131224

    10. Zb1805

    11. Akos027324075

    12. Zinc504454863

    13. S10789

    14. Ac-30403

    15. Da-22598

    16. Ds-11464

    17. Cs-0011251

    18. Ft-0700763

    19. A857713

    20. A1-03609

    21. 4-(4-bromo-3-formyl-phenoxy)-benzonitrile;4-(4-bromo-3-formylphenoxy)benzonitrile

    2.4 Create Date
    2016-05-17
    3 Chemical and Physical Properties
    Molecular Weight 302.12 g/mol
    Molecular Formula C14H8BrNO2
    XLogP33.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass300.97384 g/mol
    Monoisotopic Mass300.97384 g/mol
    Topological Polar Surface Area50.1 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity330
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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