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    13073-25-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 13073-25-1, Phenol, 2-bromo-6-nitro-, 2-bromo-6-nitro-phenol, Mfcd02683216, 6-nitro-2-bromophenol, 2-brom-6-nitrophenol
    Molecular Formula
    C6H4BrNO3
    Molecular Weight
    218.00  g/mol
    InChI Key
    VEJSIOPQKQXJAT-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-bromo-6-nitrophenol
    2.1.2 InChI
    InChI=1S/C6H4BrNO3/c7-4-2-1-3-5(6(4)9)8(10)11/h1-3,9H
    2.1.3 InChI Key
    VEJSIOPQKQXJAT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C(=C1)Br)O)[N+](=O)[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 13073-25-1

    2. Phenol, 2-bromo-6-nitro-

    3. 2-bromo-6-nitro-phenol

    4. Mfcd02683216

    5. 6-nitro-2-bromophenol

    6. 2-brom-6-nitrophenol

    7. 2-nitro-6-bromophenol

    8. 2-nitro-6-bromo-phenol

    9. Schembl846242

    10. 2-bromo-6-nitrophenol, 97%

    11. Dtxsid40926876

    12. Vejsiopqkqxjat-uhfffaoysa-n

    13. Bcp13329

    14. Bbl103851

    15. Geo-00526

    16. Stl557661

    17. Akos008901368

    18. Akos040756631

    19. Ac-3171

    20. Cs-w021626

    21. Hy-w040886

    22. Ps-6258

    23. Pd158375

    24. Sy004223

    25. Am20060355

    26. B2203

    27. Ft-0600610

    28. En300-111276

    29. Ae-641/03312018

    30. Q-101065

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 218.00 g/mol
    Molecular Formula C6H4BrNO3
    XLogP32.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area66
    Heavy Atom Count11
    Formal Charge0
    Complexity158
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1