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    Technical details about CAS-2398-37-0, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS-2398-37-0

    BUILDING BLOCK

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    2D Structure
    Also known as: 2398-37-0, 1-bromo-3-methoxybenzene, M-bromoanisole, 3-methoxybromobenzene, M-bromomethoxybenzene, 3-bromo anisole
    Molecular Formula
    C7H7BrO
    Molecular Weight
    187.03  g/mol
    InChI Key
    PLDWAJLZAAHOGG-UHFFFAOYSA-N
    FDA UNII
    7ZO6TY38WY
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-bromo-3-methoxybenzene
    2.1.2 InChI
    InChI=1S/C7H7BrO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
    2.1.3 InChI Key
    PLDWAJLZAAHOGG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC(=CC=C1)Br
    2.2 Other Identifiers
    2.2.1 UNII
    7ZO6TY38WY
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2398-37-0

    2. 1-bromo-3-methoxybenzene

    3. M-bromoanisole

    4. 3-methoxybromobenzene

    5. M-bromomethoxybenzene

    6. 3-bromo Anisole

    7. Benzene, 1-bromo-3-methoxy-

    8. Anisole, M-bromo-

    9. 3-methoxy-1-bromobenzene

    10. Meta-bromoanisole

    11. M-methoxybromobenzene

    12. M-bromophenyl Methyl Ether

    13. 3-bromoanisol

    14. 1-bromo-3-methoxy-benzene

    15. Mfcd00000081

    16. Nsc 82293

    17. 7zo6ty38wy

    18. Nsc-82293

    19. Meta Bromo Anisole

    20. M-anisyl Bromide

    21. 3-bromo Anisol

    22. Bromoanisole(3-)

    23. M-methoxyphenyl Bromide

    24. 3-methoxyphenyl Bromide

    25. 3-bromo-1-methoxybenzene

    26. Unii-7zo6ty38wy

    27. Meta Bromoanisole

    28. 3 Bromo Anisole

    29. 3-bromo-anisole

    30. 3-bromo-anisol

    31. Nsc82293

    32. Einecs 219-264-5

    33. 3-methoxy Bromobenzene

    34. 3-methoxy-bromobenzene

    35. 1-bromo-3-methoxy Benzene

    36. 3-bromoanisole, >=98%

    37. Dsstox_cid_24618

    38. Dsstox_rid_80353

    39. Dsstox_gsid_44618

    40. 1-bromanyl-3-methoxy-benzene

    41. Schembl156145

    42. Chembl3182998

    43. Dtxsid4044618

    44. Schembl12015262

    45. Zinc164414

    46. Act04958

    47. Str06107

    48. 3-methoxybromobenzene M-bromoanisole

    49. Tox21_302612

    50. Akos000120527

    51. Am86792

    52. Cs-w016868

    53. Ps-4128

    54. Ncgc00256727-01

    55. Ac-15078

    56. Sy002244

    57. Cas-2398-37-0

    58. Db-030907

    59. B0545

    60. Ft-0628172

    61. B-5680

    62. B-5700

    63. A817024

    64. Q27269080

    65. F0001-0820

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 187.03 g/mol
    Molecular Formula C7H7BrO
    XLogP33
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass185.96803 g/mol
    Monoisotopic Mass185.96803 g/mol
    Topological Polar Surface Area9.2 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity85
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1