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    CAS 367-31-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 367-31-7, 4-fluoro-1,2-phenylenediamine, 1,2-diamino-4-fluorobenzene, 3,4-diaminofluorobenzene, 4-fluoro-o-phenylenediamine, 2-amino-4-fluoroaniline
    Molecular Formula
    C6H7FN2
    Molecular Weight
    126.13  g/mol
    InChI Key
    KWEWNOOZQVJONF-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-fluorobenzene-1,2-diamine
    2.1.2 InChI
    InChI=1S/C6H7FN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
    2.1.3 InChI Key
    KWEWNOOZQVJONF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1F)N)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 367-31-7

    2. 4-fluoro-1,2-phenylenediamine

    3. 1,2-diamino-4-fluorobenzene

    4. 3,4-diaminofluorobenzene

    5. 4-fluoro-o-phenylenediamine

    6. 2-amino-4-fluoroaniline

    7. 3,4-diamino-1-fluorobenzene

    8. 4-fluoro-1,2-diaminobenzene

    9. 1,2-benzenediamine, 4-fluoro-

    10. Mfcd00042228

    11. 4-fluoro-1,2-benzenediamine

    12. 5-fluoro-1,2-diaminobenzene

    13. Einecs 206-691-7

    14. 4-fluorophenylenediamine

    15. Schembl103128

    16. 4-fluoro-1,2-phenylendiamine

    17. 4-fluoro-benzene-1,2-diamine

    18. 4-fluoro-ortho-phenylenediamine

    19. 4-fluoro-1,2-phenylene Diamine

    20. Dtxsid30190145

    21. Zinc152599

    22. Act03041

    23. Cl8380

    24. Akos005292224

    25. 4-fluoro-1,2-phenylenediamine, 97%

    26. Ab01910

    27. Ac-9694

    28. Am61498

    29. Ccg-302500

    30. Cs-w007604

    31. Ms-8972

    32. Sy016073

    33. Bb 0258962

    34. D3726

    35. Ft-0632050

    36. En300-45055

    37. J-515396

    38. F0001-1053

    39. Z273611666

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 126.13 g/mol
    Molecular Formula C6H7FN2
    XLogP30.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass126.05932639 g/mol
    Monoisotopic Mass126.05932639 g/mol
    Topological Polar Surface Area52 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity97.1
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1