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    Chemistry

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    Also known as: 18980-21-7, Phenol, 4-bromo-2-ethyl-, 2-ethyl-4-bromophenol, Mfcd00055489, Brn 2413107, 4-brom-2-aethylphenol [german]
    Molecular Formula
    C8H9BrO
    Molecular Weight
    201.06  g/mol
    InChI Key
    MAAADQMBQYSOOG-UHFFFAOYSA-N
    CAS 18980-21-7
    1 2D Structure

    CAS 18980-21-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-bromo-2-ethylphenol
    2.1.2 InChI
    InChI=1S/C8H9BrO/c1-2-6-5-7(9)3-4-8(6)10/h3-5,10H,2H2,1H3
    2.1.3 InChI Key
    MAAADQMBQYSOOG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC1=C(C=CC(=C1)Br)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 18980-21-7

    2. Phenol, 4-bromo-2-ethyl-

    3. 2-ethyl-4-bromophenol

    4. Mfcd00055489

    5. Brn 2413107

    6. 4-brom-2-aethylphenol [german]

    7. 4-brom-2-aethylphenol

    8. Einecs 242-718-9

    9. 4-bromo-2-ethyl-phenol

    10. Schembl82273

    11. Dtxsid10172409

    12. 4-bromo-2-ethylphenol, Aldrichcpr

    13. Zinc5688567

    14. Akos015949028

    15. Mb00480

    16. As-76346

    17. Da-39939

    18. (e)-2-(5-bromo-2-hydroxyphenyl) Ethane

    19. Ft-0663730

    20. D94596

    21. J-012249

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 201.06 g/mol
    Molecular Formula C8H9BrO
    XLogP32.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass199.98368 g/mol
    Monoisotopic Mass199.98368 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity105
    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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