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    Technical details about CAS 588-96-5, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 588-96-5

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    2D Structure
    1. Also known as: P-bromophenetole, 588-96-5, 1-bromo-4-ethoxybenzene, Benzene, 1-bromo-4-ethoxy-, 4-bromophenyl ethyl ether, P-bromoethoxybenzene
    Molecular Formula
    C8H9BrO
    Molecular Weight
    201.06  g/mol
    InChI Key
    WVUYYXUATWMVIT-UHFFFAOYSA-N
    FDA UNII
    T0L17BX1WR
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-bromo-4-ethoxybenzene
    2.1.2 InChI
    InChI=1S/C8H9BrO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
    2.1.3 InChI Key
    WVUYYXUATWMVIT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC1=CC=C(C=C1)Br
    2.2 Other Identifiers
    2.2.1 UNII
    T0L17BX1WR
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. P-bromophenetole

    2. 588-96-5

    3. 1-bromo-4-ethoxybenzene

    4. Benzene, 1-bromo-4-ethoxy-

    5. 4-bromophenyl Ethyl Ether

    6. P-bromoethoxybenzene

    7. P-ethoxybromobenzene

    8. 4-bromoethoxybenzene

    9. Phenetole, P-bromo-

    10. P-ethoxyphenyl Bromide

    11. P-bromophenol Ethyl Ether

    12. 1-bromo-4-ethoxy-benzene

    13. 4-ethoxybromobenzene

    14. 4-bromo Phenetole

    15. Nsc 8053

    16. Ethyl 4-bromophenyl Ether

    17. Mfcd00000098

    18. T0l17bx1wr

    19. Chembl187292

    20. Nsc-8053

    21. 1-bromo-4-ethyloxybenzene

    22. Unii-t0l17bx1wr

    23. P-bromophenetol

    24. 4-bromophenetol

    25. Phenetyl Bromide

    26. 4-bromo Phenetol

    27. Nsc8053

    28. Einecs 209-629-7

    29. 4-ethoxybromo-benzene

    30. 1-ethoxy-4-bromobenzene

    31. P-bromophenyl Ethyl Ether

    32. 4-bromophenetole, 98%

    33. 4-bromophenetole (4bp)

    34. 2-methylglutaricacid

    35. Schembl18358

    36. 4-ethoxyphenyl Bromide

    37. Dtxsid6060426

    38. Zinc407014

    39. Act08100

    40. Ac1306

    41. Bdbm50150786

    42. Akos000119004

    43. Cs-w015571

    44. Ds-14348

    45. Sy001830

    46. Bromophenol P-form Ethyl Ether [mi]

    47. Db-028768

    48. Am20060683

    49. A832064

    50. W-105361

    51. Q27289511

    52. F0001-1538

    53. 5-(4-bromophenyl)sulfanyl-4-(chloromethyl)-1-methyl-3-phenyl-pyrazole

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 201.06 g/mol
    Molecular Formula C8H9BrO
    XLogP32.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass199.98368 g/mol
    Monoisotopic Mass199.98368 g/mol
    Topological Polar Surface Area9.2 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity87.3
    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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