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    CAS 202197-26-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 202197-26-0, 3-chloro-4-((3-fluorobenzyl)oxy)aniline, 3-chloro-4-[(3-fluorophenyl)methoxy]aniline, 3-chloro-4-[(3-fluorobenzyl)oxy]aniline, Benzenamine, 3-chloro-4-[(3-fluorophenyl)methoxy]-, Mfcd06809822
    Molecular Formula
    C13H11ClFNO
    Molecular Weight
    251.68  g/mol
    InChI Key
    AYPFEYDGZDPAPE-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-chloro-4-[(3-fluorophenyl)methoxy]aniline
    2.1.2 InChI
    InChI=1S/C13H11ClFNO/c14-12-7-11(16)4-5-13(12)17-8-9-2-1-3-10(15)6-9/h1-7H,8,16H2
    2.1.3 InChI Key
    AYPFEYDGZDPAPE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)N)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 202197-26-0

    2. 3-chloro-4-((3-fluorobenzyl)oxy)aniline

    3. 3-chloro-4-[(3-fluorophenyl)methoxy]aniline

    4. 3-chloro-4-[(3-fluorobenzyl)oxy]aniline

    5. Benzenamine, 3-chloro-4-[(3-fluorophenyl)methoxy]-

    6. Mfcd06809822

    7. 4-(3-fluorobenzyloxy)-3-chlorobenzenamine

    8. Ec 445-590-4

    9. Schembl156718

    10. Dtxsid10427603

    11. Bcp10606

    12. Zinc3866590

    13. (non-labelled)lapatinib Impurity-d4

    14. 3-chloro4-(3-fluorobenzyloxy)aniline

    15. Akos008093322

    16. 4-(3-fluorobenzyloxy)-3-chloroaniline

    17. Ac-8505

    18. Sb18202

    19. 3-chloro-4(m-fluoro-benzyloxy)-aniline

    20. 3-chloro-4-(3-fluoro-benzyloxy)aniline

    21. 3-chloro-4-(3-fluorobenzyloxy)-aniline

    22. 3-choro-4-(m-fluoro-benzyloxy)-aniline

    23. 4-(3-fluorobenzyloxy)-3-chloro Aniline

    24. 3-chloro-4-(m-fluoro-benzyloxy)-aniline

    25. Sy008144

    26. Ts-00798

    27. 3-chloro-4-(3-fluorobenzyloxy)phenylamine

    28. Am20060861

    29. Cs-0008658

    30. Ft-0659411

    31. En300-31606

    32. 197c260

    33. A814338

    34. Ar-527/43363328

    35. 3-chloro-4-(3-fluorobenzyloxy)aniline, Aldrichcpr

    36. Q-101356

    37. 3-chloro-4-[(3-fluorophenyl)methoxy]aniline Hydrochloride;3-chloro-4-(3-fluorobenzyloxy)aniline

    2.3 Create Date
    2006-07-29
    3 Chemical and Physical Properties
    Molecular Weight 251.68 g/mol
    Molecular Formula C13H11ClFNO
    XLogP33.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass251.0513198 g/mol
    Monoisotopic Mass251.0513198 g/mol
    Topological Polar Surface Area35.2 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity242
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1