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    CAS 10075-50-0

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    CAS 10075-50-0
    Also known as: 10075-50-0, 5-bromo-1h-indole, 1h-indole, 5-bromo-, 5-bromo indole, Mfcd00005670, 5-bromo-indole
    Molecular Formula
    C8H6BrN
    Molecular Weight
    196.04  g/mol
    InChI Key
    VXWVFZFZYXOBTA-UHFFFAOYSA-N
    FDA UNII
    R8FGF42R4A
    1 2D Structure

    CAS 10075-50-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-bromo-1H-indole
    2.1.2 InChI
    InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
    2.1.3 InChI Key
    VXWVFZFZYXOBTA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C=CN2)C=C1Br
    2.2 Other Identifiers
    2.2.1 UNII
    R8FGF42R4A
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 10075-50-0

    2. 5-bromo-1h-indole

    3. 1h-indole, 5-bromo-

    4. 5-bromo Indole

    5. Mfcd00005670

    6. 5-bromo-indole

    7. 5-bromanyl-1~{h}-indole

    8. R8fgf42r4a

    9. Chembl325917

    10. Nsc-75581

    11. 5bromoindole

    12. H4n

    13. Nsc75581

    14. Einecs 233-208-7

    15. Nsc 75581

    16. 5-bromo 1h Indole

    17. 5-bromoindole, 99%

    18. 5-bromo-1h-indole #

    19. Maybridge1_006195

    20. Unii-r8fgf42r4a

    21. Nciopen2_000472

    22. Schembl74304

    23. Bidd:gt0232

    24. Ambz0191

    25. Dtxsid6073996

    26. Hms559b13

    27. Zinc81120

    28. Act02545

    29. Albb-021314

    30. Bcp26677

    31. Cs-d0617

    32. Bbl013012

    33. Bdbm50358747

    34. Ccg-42502

    35. Geo-00480

    36. S5439

    37. Stk249656

    38. Akos000120596

    39. Ab00482

    40. Ac-1348

    41. Fs-1805

    42. Sb40564

    43. 220310-64-5

    44. Hy-30236

    45. Sy005268

    46. Db-012391

    47. Am20060209

    48. Ft-0620159

    49. Ft-0620160

    50. 75b500

    51. B-8420

    52. B-8424

    53. Sr-01000632498-1

    54. F8881-6102

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 196.04 g/mol
    Molecular Formula C8H6BrN
    XLogP33
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count0
    Exact Mass194.96836 g/mol
    Monoisotopic Mass194.96836 g/mol
    Topological Polar Surface Area15.8 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity126
    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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