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    Chemistry

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    Also known as: 1103738-29-9, 4-iodo-1-chloro-2-(4-ethoxybenzyl)benzene, 1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodobenzene, Mfcd18642361, Schembl1933786, Amy8642
    Molecular Formula
    C15H14ClIO
    Molecular Weight
    372.63  g/mol
    InChI Key
    CZFRIPGHKLGMEU-UHFFFAOYSA-N
    CAS 1103738-29-9
    1 2D Structure

    CAS 1103738-29-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodobenzene
    2.1.2 InChI
    InChI=1S/C15H14ClIO/c1-2-18-14-6-3-11(4-7-14)9-12-10-13(17)5-8-15(12)16/h3-8,10H,2,9H2,1H3
    2.1.3 InChI Key
    CZFRIPGHKLGMEU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)I)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1103738-29-9

    2. 4-iodo-1-chloro-2-(4-ethoxybenzyl)benzene

    3. 1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodobenzene

    4. Mfcd18642361

    5. Schembl1933786

    6. Amy8642

    7. Dtxsid30649082

    8. Bcp09892

    9. Cs-m2123

    10. Zinc59085160

    11. Akos016011332

    12. Ds-6280

    13. Ac-26922

    14. Sy113135

    15. Db-059991

    16. Ft-0714177

    17. A852277

    18. Benzene,1-chloro-2-[(4-ethoxyphenyl)methyl]-4-iodo-

    2.3 Create Date
    2009-04-06
    3 Chemical and Physical Properties
    Molecular Weight 372.63 g/mol
    Molecular Formula C15H14ClIO
    XLogP35.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count4
    Exact Mass371.97779 g/mol
    Monoisotopic Mass371.97779 g/mol
    Topological Polar Surface Area9.2 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity241
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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