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    CAS 174775-48-5

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    CAS 174775-48-5
    Also known as: 174775-48-5, Ethyl 5-amino-1-benzofuran-2-carboxylate, 2-benzofurancarboxylic acid, 5-amino-, ethyl ester, Ethyl 5-aminobenzo[b]furan-2-carboxylate, Qna7k2k6rx, 5-aminobenzofuran-2-carboxylic acid ethyl ester
    Molecular Formula
    C11H11NO3
    Molecular Weight
    205.21  g/mol
    InChI Key
    YFFLLDHEEWSHQG-UHFFFAOYSA-N
    FDA UNII
    QNA7K2K6RX
    1 2D Structure

    CAS 174775-48-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 5-amino-1-benzofuran-2-carboxylate
    2.1.2 InChI
    InChI=1S/C11H11NO3/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2,12H2,1H3
    2.1.3 InChI Key
    YFFLLDHEEWSHQG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=CC2=C(O1)C=CC(=C2)N
    2.2 Other Identifiers
    2.2.1 UNII
    QNA7K2K6RX
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 174775-48-5

    2. Ethyl 5-amino-1-benzofuran-2-carboxylate

    3. 2-benzofurancarboxylic Acid, 5-amino-, Ethyl Ester

    4. Ethyl 5-aminobenzo[b]furan-2-carboxylate

    5. Qna7k2k6rx

    6. 5-aminobenzofuran-2-carboxylic Acid Ethyl Ester

    7. Ethyl-5-amino-1-benzofuran-2-carboxylate

    8. Unii-qna7k2k6rx

    9. Schembl2255398

    10. Dtxsid60431558

    11. Bcp12350

    12. Cs-m1412

    13. Mfcd08275091

    14. Zinc12336529

    15. Ethyl 5-amino-2-benzofurancarboxylate

    16. Akos005072009

    17. Am84613

    18. Cb-0818

    19. Pb17511

    20. Ac-25876

    21. Db-064972

    22. Ethyl5-aminobenzofuran-2-carboxylate

    23. E1138

    24. Ft-0680785

    25. P10580

    26. 2-benzofurancarboxylicacid,5-amino-,ethylester(9ci)

    27. J-521106

    28. 5-amino-benzofuran-2-carboxylic Acid Ethyl Ester

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 205.21 g/mol
    Molecular Formula C11H11NO3
    XLogP32.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass205.07389321 g/mol
    Monoisotopic Mass205.07389321 g/mol
    Topological Polar Surface Area65.5 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity244
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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