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    Chemistry

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    Also known as: 4619-74-3, Micatex, 2,4,6-tribromo-m-cresol, Triphysan, Triphysol, Tribromometacresol
    Molecular Formula
    C7H5Br3O
    Molecular Weight
    344.83  g/mol
    InChI Key
    QKHROXOPRBWBDD-UHFFFAOYSA-N
    FDA UNII
    Q3Z845166M
    2,4,6-Tribromo-3-Methylphenol
    1 2D Structure

    2,4,6-Tribromo-3-Methylphenol

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,4,6-tribromo-3-methylphenol
    2.1.2 InChI
    InChI=1S/C7H5Br3O/c1-3-4(8)2-5(9)7(11)6(3)10/h2,11H,1H3
    2.1.3 InChI Key
    QKHROXOPRBWBDD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C(=C(C=C1Br)Br)O)Br
    2.2 Other Identifiers
    2.2.1 UNII
    Q3Z845166M
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 4619-74-3

    2. Micatex

    3. 2,4,6-tribromo-m-cresol

    4. Triphysan

    5. Triphysol

    6. Tribromometacresol

    7. 3-methyl-2,4,6-tribromophenol

    8. M-cresol, 2,4,6-tribromo-

    9. Phenol, 2,4,6-tribromo-3-methyl-

    10. Nsc-74686

    11. Q3z845166m

    12. Einecs 225-032-4

    13. Nsc 74686

    14. Brn 1949974

    15. Unii-q3z845166m

    16. 2,4,6-tribromo-m-cresol (oh=1)

    17. 2,6-tribromo-m-cresol

    18. M-cresol,4,6-tribromo-

    19. 3-06-00-01324 (beilstein Handbook Reference)

    20. 2,6-tribromo-3-methylphenol

    21. Schembl467297

    22. Wln: Qr Be De Fe C1

    23. Chembl3707340

    24. Phenol,4,6-tribromo-3-methyl-

    25. Dtxsid40196754

    26. Chebi:135457

    27. Zinc404196

    28. 2,4,6-tribromo-m-cresol(oh=1)

    29. Nsc74686

    30. Mfcd00019976

    31. Akos015890412

    32. Db13513

    33. Hy-w319335

    34. (anilinocarbonyl)amino]aceticacid

    35. 2,4,6-tribromo-m-cresol [mi]

    36. Ac-23681

    37. Db-013956

    38. 2,4,6-tribromo-m-cresol [who-dd]

    39. Cs-0358959

    40. Ft-0609839

    41. F20934

    42. A827005

    43. Q7840447

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 344.83 g/mol
    Molecular Formula C7H5Br3O
    XLogP34
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass343.78700 g/mol
    Monoisotopic Mass341.78905 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity142
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 ATC Code

    D - Dermatologicals

    D01 - Antifungals for dermatological use

    D01A - Antifungals for topical use

    D01AE - Other antifungals for topical use

    D01AE03 - Tribromometacresol

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