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    Technical details about CAS 915095-89-5, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 915095-89-5

    BUILDING BLOCK

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    2D Structure
    Also known as: 915095-89-5, (3s)-3-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]tetrahydro-furan, (3s)-3-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]oxolane, 4wr8p4hz8g, (s)-3-(4-(5-bromo-2-chlorobenzyl)phenoxy) tetrahydrofuran, Furan, 3-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]tetrahydro-, (3s)-
    Molecular Formula
    C17H16BrClO2
    Molecular Weight
    367.7  g/mol
    InChI Key
    HUNLNKBDQXGMAP-INIZCTEOSA-N
    FDA UNII
    4WR8P4HZ8G
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S)-3-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]oxolane
    2.1.2 InChI
    InChI=1S/C17H16BrClO2/c18-14-3-6-17(19)13(10-14)9-12-1-4-15(5-2-12)21-16-7-8-20-11-16/h1-6,10,16H,7-9,11H2/t16-/m0/s1
    2.1.3 InChI Key
    HUNLNKBDQXGMAP-INIZCTEOSA-N
    2.1.4 Canonical SMILES
    C1COCC1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)Br)Cl
    2.1.5 Isomeric SMILES
    C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)Br)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    4WR8P4HZ8G
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 915095-89-5

    2. (3s)-3-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]tetrahydro-furan

    3. (3s)-3-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]oxolane

    4. 4wr8p4hz8g

    5. (s)-3-(4-(5-bromo-2-chlorobenzyl)phenoxy) Tetrahydrofuran

    6. Furan, 3-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]tetrahydro-, (3s)-

    7. Furan, 3-(4-((5-bromo-2-chlorophenyl)methyl)phenoxy)tetrahydro-, (3s)-

    8. (3s)-3-{4-[(5-bromo-2-chlorophenyl)methyl]phenoxy}oxolane

    9. Mfcd27920793

    10. Unii-4wr8p4hz8g

    11. Schembl2638119

    12. Amy16484

    13. Bcp11193

    14. Zinc34775526

    15. Akos022186156

    16. Ds-7819

    17. Ac-26974

    18. Cs-0015036

    19. (3s)-3-(4-((5-bromo-2-chlorophenyl)methyl)phenoxy)tetrahydrofuran

    2.4 Create Date
    2007-02-21
    3 Chemical and Physical Properties
    Molecular Weight 367.7 g/mol
    Molecular Formula C17H16BrClO2
    XLogP35.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count4
    Exact Mass366.00222 g/mol
    Monoisotopic Mass366.00222 g/mol
    Topological Polar Surface Area18.5 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity320
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1