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    CAS 577-19-5

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    CAS 577-19-5
    Also known as: 577-19-5, 2-bromonitrobenzene, O-bromonitrobenzene, O-nitrobromobenzene, 2-nitrobromobenzene, Benzene, 1-bromo-2-nitro-
    Molecular Formula
    C6H4BrNO2
    Molecular Weight
    202.01  g/mol
    InChI Key
    ORPVVAKYSXQCJI-UHFFFAOYSA-N
    FDA UNII
    QP2NF456XV
    1 2D Structure

    CAS 577-19-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-bromo-2-nitrobenzene
    2.1.2 InChI
    InChI=1S/C6H4BrNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
    2.1.3 InChI Key
    ORPVVAKYSXQCJI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C(=C1)[N+](=O)[O-])Br
    2.2 Other Identifiers
    2.2.1 UNII
    QP2NF456XV
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-bromonitrobenzene

    2. O-bromonitrobenzene

    2.3.2 Depositor-Supplied Synonyms

    1. 577-19-5

    2. 2-bromonitrobenzene

    3. O-bromonitrobenzene

    4. O-nitrobromobenzene

    5. 2-nitrobromobenzene

    6. Benzene, 1-bromo-2-nitro-

    7. 2-bromo-1-nitrobenzene

    8. 1-bromo-2-nitro-benzene

    9. O-nitrophenyl Bromide

    10. 2-bromo Nitrobenzene

    11. Benzene, Bromonitro-

    12. Nsc 403836

    13. Ortho-bromonitrobenzene

    14. Nsc-403836

    15. Ccris 3113

    16. Einecs 209-409-0

    17. Bromnitrobenzol

    18. Ai3-01564

    19. 1-bromonitrobenzene

    20. 2-bromo-nitrobenzene

    21. 2-nitrophenyl Bromide

    22. Bromonitrobenzene

    23. 1-bromo-2-nitrobenze

    24. 2-nitro-1-bromobenzene

    25. Qp2nf456xv

    26. Schembl25007

    27. Ghl.pd_mitscher_leg0.917

    28. Isopropyl (e)-but-2-enoate

    29. 1-bromo-2-nitrobenzene, 98%

    30. Dtxsid9060364

    31. Act07602

    32. O-nitrobromobenzene, Liquid Or Solid

    33. Mfcd00007045

    34. Nsc403836

    35. Sc5002

    36. Stl280234

    37. Akos000119812

    38. Ac-3283

    39. Ol10147

    40. Ps-6281

    41. Db-019067

    42. A8220

    43. B0622

    44. Ft-0611585

    45. Ft-0663810

    46. En300-19640

    47. B-8941

    48. 1-bromo-2-nitrobenzene 1000 Microg/ml In Acetone

    49. 1-bromo-2-nitrobenzene 1000 Microg/ml In Methanol

    50. J-504407

    51. Q63398444

    52. O-nitrobromobenzene, Liquid Or Solid [un2732] [keep Away From Food]

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 202.01 g/mol
    Molecular Formula C6H4BrNO2
    XLogP32.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area45.8
    Heavy Atom Count10
    Formal Charge0
    Complexity134
    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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