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    CAS 434-76-4

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 434-76-4, 6-fluoroanthranilic acid, Benzoic acid, 2-amino-6-fluoro-, Anthralic acid, 6-fluoro-, 2-azanyl-6-fluoranyl-benzoic acid, Mfcd00067781
    Molecular Formula
    C7H6FNO2
    Molecular Weight
    155.13  g/mol
    InChI Key
    RWSFZKWMVWPDGZ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-amino-6-fluorobenzoic acid
    2.1.2 InChI
    InChI=1S/C7H6FNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11)
    2.1.3 InChI Key
    RWSFZKWMVWPDGZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C(=C1)F)C(=O)O)N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 6-faba Cpd

    2.2.2 Depositor-Supplied Synonyms

    1. 434-76-4

    2. 6-fluoroanthranilic Acid

    3. Benzoic Acid, 2-amino-6-fluoro-

    4. Anthralic Acid, 6-fluoro-

    5. 2-azanyl-6-fluoranyl-benzoic Acid

    6. Mfcd00067781

    7. 2,amino-6-fluorobenzoic Acid

    8. 2-amino-6-fluoro-benzoic Acid

    9. 4owo

    10. 6-fluoroanthranilate

    11. 6-fluoroanthanilic Acid

    12. Amino-6-fluorobenzoic Acid

    13. 6-faba

    14. 2-amino-6-fluorobenzoicacid

    15. Oprea1_302702

    16. Schembl283962

    17. Chembl4453722

    18. Dtxsid60963006

    19. Pc1071m

    20. Zinc153055

    21. Act11906

    22. Bcp16598

    23. 2-amino-6-fluorobenzoic Acid, 98%

    24. Akos005064108

    25. Ac-3438

    26. Bs-3856

    27. Cs-w001131

    28. Bp-20086

    29. Sy005291

    30. Db-024020

    31. A1692

    32. Am20061163

    33. F0475

    34. Ft-0621129

    35. En300-41610

    36. W-202763

    37. Q27456372

    38. Z1238477766

    39. 6f0

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 155.13 g/mol
    Molecular Formula C7H6FNO2
    XLogP31.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass155.03825660 g/mol
    Monoisotopic Mass155.03825660 g/mol
    Topological Polar Surface Area63.3 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity163
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1