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    CAS 1034305-17-3 manufacturers and suppliers on PharmaCompass

    Client Email Product

    2-(5-Bromo-2-Fluorobenzyl)Benzo[B]Thiophene

    Manufacturers/Suppliers

    PharmaCompass
    2-(5-Bromo-2-Fluorobenzyl)Benzo[B]Thiophene
    Also known as: 1034305-17-3, 2-[(5-bromo-2-fluorophenyl)methyl]-1-benzothiophene, 2-(5-bromo-2-fluorobenzyl)benzothiophene, Benzo[b]thiophene, 2-[(5-bromo-2-fluorophenyl)methyl]-, 2-(5-bromo-2-fluorobenzyl)-1-benzothiophene, 2-[(5-bromo-2-fluorophenyl)methyl]-benzo[b]thiophene
    Molecular Formula
    C15H10BrFS
    Molecular Weight
    321.2  g/mol
    InChI Key
    IKGTVOQAJKYBGO-UHFFFAOYSA-N
    1 2D Structure

    2-(5-Bromo-2-Fluorobenzyl)Benzo[B]Thiophene

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(5-bromo-2-fluorophenyl)methyl]-1-benzothiophene
    2.1.2 InChI
    InChI=1S/C15H10BrFS/c16-12-5-6-14(17)11(7-12)9-13-8-10-3-1-2-4-15(10)18-13/h1-8H,9H2
    2.1.3 InChI Key
    IKGTVOQAJKYBGO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)C=C(S2)CC3=C(C=CC(=C3)Br)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1034305-17-3

    2. 2-[(5-bromo-2-fluorophenyl)methyl]-1-benzothiophene

    3. 2-(5-bromo-2-fluorobenzyl)benzothiophene

    4. Benzo[b]thiophene, 2-[(5-bromo-2-fluorophenyl)methyl]-

    5. 2-(5-bromo-2-fluorobenzyl)-1-benzothiophene

    6. 2-[(5-bromo-2-fluorophenyl)methyl]-benzo[b]thiophene

    7. Mfcd28144826

    8. Benzo[b]thiophene,2-((5-bromo-2-fluorophenyl)methyl)-

    9. Benzo[b]thiophene,2-[(5-bromo-2-fluorophenyl)methyl]-

    10. Schembl155503

    11. Amy16552

    12. Bcp12329

    13. Cs-m2884

    14. Akos024464817

    15. Zinc113222386

    16. Ds-8332

    17. Ac-29055

    18. Sy116155

    19. 1-(benzo[b]thiophen-2-ylmethyl)-5-bromo-2-fluorobenzene

    20. Benzo[b]thiophene, 2-[(5-bromo-2-fluorophenyl)methyl]-; 2-[(5-bromo-2-fluorophenyl)methyl]-benzo[b]thiophene

    2.3 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 321.2 g/mol
    Molecular Formula C15H10BrFS
    XLogP35.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass319.96706 g/mol
    Monoisotopic Mass319.96706 g/mol
    Topological Polar Surface Area28.2 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity286
    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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