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    CAS 141645-16-1

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    CAS 141645-16-1
    Also known as: 141645-16-1, 2-butyl-3-(4-hydroxybenzoyl)-5-nitrobenzofuran, Methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-hydroxyphenyl)-, (2-butyl-5-nitro-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone, 73hkt5l2nj, Unii-73hkt5l2nj
    Molecular Formula
    C19H17NO5
    Molecular Weight
    339.3  g/mol
    InChI Key
    ZJZKLBXEGZKOBW-UHFFFAOYSA-N
    FDA UNII
    73HKT5L2NJ
    1 2D Structure

    CAS 141645-16-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2-butyl-5-nitro-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone
    2.1.2 InChI
    InChI=1S/C19H17NO5/c1-2-3-4-17-18(19(22)12-5-8-14(21)9-6-12)15-11-13(20(23)24)7-10-16(15)25-17/h5-11,21H,2-4H2,1H3
    2.1.3 InChI Key
    ZJZKLBXEGZKOBW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCC1=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)O
    2.2 Other Identifiers
    2.2.1 UNII
    73HKT5L2NJ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 141645-16-1

    2. 2-butyl-3-(4-hydroxybenzoyl)-5-nitrobenzofuran

    3. Methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-hydroxyphenyl)-

    4. (2-butyl-5-nitro-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone

    5. 73hkt5l2nj

    6. Unii-73hkt5l2nj

    7. Schembl282873

    8. Dtxsid50467068

    9. (2-butyl-5-nitro-3-benzofuranyl)(4-hydroxyphenyl)methanone

    10. (2-butyl-5-nitro-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone

    11. Amy40196

    12. Bcp12789

    13. Cs-m0182

    14. Cl4581

    15. Methanone, (2-butyl-5-nitro-1-benzofuran-3-yl)(4-hydroxyphenyl)-

    16. Mfcd14525622

    17. Zinc34577526

    18. Akos015901881

    19. Sb67331

    20. Ac-25777

    21. As-18906

    22. Dronedarone Hydrochloride Impurity C

    23. Db-063392

    24. Ft-0686415

    25. 2-butyl-3-(4-hydroxybenzoyl)5-nitrobenzofuran

    26. 2-n-butyl-3-(4-hydroxybenzoyl)-5-nitrobenzofuran

    27. 645b161

    28. A885579

    29. 2-n-butyl-3-(4-hydroxybenzoyl)-5-nitro Benzofuran

    30. J-500680

    31. 2-n-butyl-3-(4-hydroxy Benzoyl)-5-nitro Benzofuran

    32. 2-n-butyl-3-(4-hydroxy-benzoyl)-5-nitro-benzofuran

    33. 2-butyl-5-nitrobenzofuran-3-yl(4-hydroxyphenyl)methanone

    34. (2-butyl-5-nitro-1-benzofur-3-yl)-(4-hydroxyphenyl)methanon

    35. (2-butyl-5-nitro-1-benzofuran-3-yl)(4-hydroxy-phenyl)methanone

    36. (2-butyl-5-nitro-benzofuran-3-yl)-(4-hydroxy-phenyl)-methanone

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 339.3 g/mol
    Molecular Formula C19H17NO5
    XLogP34.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count5
    Exact Mass339.11067264 g/mol
    Monoisotopic Mass339.11067264 g/mol
    Topological Polar Surface Area96.3 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity483
    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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      ​Headquartered in Fengxian District, Shanghai Minbiotch Co., Ltd. is a company specializing in the R&D and production of advanced pharmaceutical intermediates and biological APIs. There are more than 1000 square meters of R&D centers in Nantong, Jiangsu and Jinan, Shandong, with more than 13,000㎡ of production sites. While supplying products to customers, the company also provides services such as technology development, technology transfer and technology exchange, aiming to provide customers with comprehensive supply and solutions in the biomedical industry.
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