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    Chemistry

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    Also known as: 573764-31-5, Benzenamine, 4-chloro-3-iodo-, 4-chloro-3-iodo-aniline, Mfcd11521292, 4-chloro-3-iodo aniline, 4-chloro-3-iodophenylamine
    Molecular Formula
    C6H5ClIN
    Molecular Weight
    253.47  g/mol
    InChI Key
    AWJWTZAGRWNBFC-UHFFFAOYSA-N
    CAS 573764-31-5
    1 2D Structure

    CAS 573764-31-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-chloro-3-iodoaniline
    2.1.2 InChI
    InChI=1S/C6H5ClIN/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
    2.1.3 InChI Key
    AWJWTZAGRWNBFC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1N)I)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 573764-31-5

    2. Benzenamine, 4-chloro-3-iodo-

    3. 4-chloro-3-iodo-aniline

    4. Mfcd11521292

    5. 4-chloro-3-iodo Aniline

    6. 4-chloro-3-iodophenylamine

    7. 4-chloro-3-iodo-phenylamine

    8. Schembl1016688

    9. Dtxsid50619242

    10. Yxa76431

    11. Td1336

    12. Zinc71618592

    13. Akos022171757

    14. Cs-w005554

    15. Mb09944

    16. Ps-7437

    17. Ac-28496

    18. Sy034476

    19. Ft-0728379

    20. A831416

    21. Ae-562/43458279

    22. J-504517

    23. Z2379087697

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 253.47 g/mol
    Molecular Formula C6H5ClIN
    XLogP32.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass252.91552 g/mol
    Monoisotopic Mass252.91552 g/mol
    Topological Polar Surface Area26 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity99.1
    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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