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    CAS 320-51-4

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 320-51-4, 5-amino-2-chlorobenzotrifluoride, 3-(trifluoromethyl)-4-chloroaniline, 2-chloro-5-aminobenzotrifluoride, 4-chloro-alpha,alpha,alpha-trifluoro-m-toluidine, Benzenamine, 4-chloro-3-(trifluoromethyl)-
    Molecular Formula
    C7H5ClF3N
    Molecular Weight
    195.57  g/mol
    InChI Key
    ASPDJZINBYYZRU-UHFFFAOYSA-N
    FDA UNII
    000N5814MR
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-chloro-3-(trifluoromethyl)aniline
    2.1.2 InChI
    InChI=1S/C7H5ClF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2
    2.1.3 InChI Key
    ASPDJZINBYYZRU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1N)C(F)(F)F)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    000N5814MR
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 320-51-4

    2. 5-amino-2-chlorobenzotrifluoride

    3. 3-(trifluoromethyl)-4-chloroaniline

    4. 2-chloro-5-aminobenzotrifluoride

    5. 4-chloro-alpha,alpha,alpha-trifluoro-m-toluidine

    6. Benzenamine, 4-chloro-3-(trifluoromethyl)-

    7. 2-chloro-5-aminebenzotrifluoride

    8. Acbt

    9. 4-chloro-3-trifluoromethylaniline

    10. 4-chloro-3-(trifluoromethyl)benzenamine

    11. 6-chloro-3-aminobenzotrifluoride

    12. Aniline, 4-chloro-3-(trifluoromethyl)-

    13. Mfcd00007846

    14. 4-chloro-3-trifluoromethyl-phenylamine

    15. 4-chloro-3-(trifluoromethyl) Aniline

    16. Chebi:59245

    17. Nsc-61405

    18. 000n5814mr

    19. M-toluidine, 4-chloro-.alpha.,.alpha.,.alpha.-trifluoro-

    20. Ccris 2815

    21. Einecs 206-277-6

    22. Nsc 61405

    23. 4-amino-1-chloro-2-(trifluoromethyl)benzene

    24. Unii-000n5814mr

    25. Nsc61405

    26. M-toluidine, 4-chloro-alpha,alpha,alpha-trifluoro-

    27. 3-amino-6-chlorobenzotrifluoride

    28. Hydromorphone 3-sulfate

    29. Epitope Id:131789

    30. Schembl203216

    31. Dtxsid7059804

    32. 3-triflouromethyl-4-chloroanilin

    33. Aspdjzinbyyzru-uhfffaoysa-

    34. 4-chloro-5-trifluoromethylaniline

    35. 3-trifluoromethyl-4-chloroaniline

    36. 5-amino-2-chloro-benzotrifluoride

    37. 5-amino-2-chlorobenzo Trifluoride

    38. Hms1648n05

    39. Zinc154725

    40. 3-trifluoromethyl-4-chloro Aniline

    41. 3-trifluoromethyl-4-chloro-aniline

    42. 4-chloro-3-trifluoromethyl Aniline

    43. 4-chloro-3-trifluoromethyl-aniline

    44. Bcp09443

    45. P-chloro-m-(trifluoromethyl)aniline

    46. 4-chloro-3 (trifluoromethyl)aniline

    47. 4-chloro-3-trifluoro Methyl Aniline

    48. 4-chloro-3-trifluoromethylbenzenamine

    49. Bbl018123

    50. Pc1070

    51. Stk902087

    52. 4-chloro-3-(trifluoromethyl)-aniline

    53. 4-chloro-3-trifluoromethylphenylamine

    54. Akos000120459

    55. Cs-w019997

    56. Ps-8279

    57. 4-chloro-3-(trifluoromethyl)benzeneamine

    58. Ac-25037

    59. Benzenamine, 4-chloro-3-trifluoromethyl-

    60. 4-chloro-3-(trifluoromethyl)benzene Amine

    61. 4-chloro-3-(trifluoromethyl)aniline, 99%

    62. A5768

    63. Am20060297

    64. Bb 0218491

    65. Ft-0601470

    66. Ft-0652265

    67. (4-chloro-3-trifluoromethylphenyl)amine

    68. W-106863

    69. Q27126565

    70. F2108-0227

    71. Z1245635739

    72. 4-chloro-.alpha.,.alpha.,.alpha.-trifluoro-m-toluidine

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 195.57 g/mol
    Molecular Formula C7H5ClF3N
    XLogP33.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count0
    Exact Mass195.0062613 g/mol
    Monoisotopic Mass195.0062613 g/mol
    Topological Polar Surface Area26 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity159
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1