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    CAS 1204-44-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1204-44-0, 4'-chloro-biphenyl-2-ylamine, 2-(4-chlorophenyl)aniline, 4'-chlorobiphenyl-2-amine, 4'-chlorobiphenyl-2-ylamine, 2-amino-4'-chlorobiphenyl
    Molecular Formula
    C12H10ClN
    Molecular Weight
    203.67  g/mol
    InChI Key
    JPBWZIPCMDZOPM-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(4-chlorophenyl)aniline
    2.1.2 InChI
    InChI=1S/C12H10ClN/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8H,14H2
    2.1.3 InChI Key
    JPBWZIPCMDZOPM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1204-44-0

    2. 4'-chloro-biphenyl-2-ylamine

    3. 2-(4-chlorophenyl)aniline

    4. 4'-chlorobiphenyl-2-amine

    5. 4'-chlorobiphenyl-2-ylamine

    6. 2-amino-4'-chlorobiphenyl

    7. Mls002695317

    8. 4'-chloro[1,1'-biphenyl]-2-amine

    9. 4'-chloro-2-biphenylamine

    10. Nsc95712

    11. 4'-chloro-2-aminobiphenyl

    12. Nciopen2_005832

    13. Akos Bar-0110

    14. Schembl395875

    15. Amy177

    16. Chembl1868314

    17. 4'-chloro-biphenyl-2-yl Amine

    18. Dtxsid40923380

    19. Hms3092i23

    20. Baa20444

    21. Bcp17172

    22. Zinc1621381

    23. 4'-chloro-1,1'-biphenyl-2-amine

    24. Mfcd03424659

    25. Nsc-95712

    26. Akos002683514

    27. Ab14566

    28. Ds-5427

    29. 2-amino-4'-chlorobiphenyl Hydrochloride

    30. Smr001561223

    31. Bb 0222451

    32. Cs-0156682

    33. Ft-0633481

    34. F20479

    35. A804507

    36. 2-amino-4 Inverted Exclamation Marka-chlorobiphenyl

    37. 4 Inverted Exclamation Marka-chloro-biphenyl-2-ylamine

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 203.67 g/mol
    Molecular Formula C12H10ClN
    XLogP33.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass203.0501770 g/mol
    Monoisotopic Mass203.0501770 g/mol
    Topological Polar Surface Area26 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity175
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1