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    CAS 376592-58-4

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    CAS 376592-58-4
    Also known as: 376592-58-4, 3-(5-chloro-2-hydroxy-3-nitrophenyl)benzoic acid, Ln3aff6ly4, 5'-chloro-2'-hydroxy-3'-nitro-(1,1'-biphenyl)-3-carboxylic acid, 5'-chloro-2'-hydroxy-3'-nitro[1,1'-biphenyl]-3-carboxylic acid, 5'-chloro-2'-hydroxy-3'-nitro(1,1'-biphenyl)-3-carboxylic acid
    Molecular Formula
    C13H8ClNO5
    Molecular Weight
    293.66  g/mol
    InChI Key
    PGNTVCRTPYDGRN-UHFFFAOYSA-N
    FDA UNII
    LN3AFF6LY4
    1 2D Structure

    CAS 376592-58-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(5-chloro-2-hydroxy-3-nitrophenyl)benzoic acid
    2.1.2 InChI
    InChI=1S/C13H8ClNO5/c14-9-5-10(12(16)11(6-9)15(19)20)7-2-1-3-8(4-7)13(17)18/h1-6,16H,(H,17,18)
    2.1.3 InChI Key
    PGNTVCRTPYDGRN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC(=C1)C(=O)O)C2=C(C(=CC(=C2)Cl)[N+](=O)[O-])O
    2.2 Other Identifiers
    2.2.1 UNII
    LN3AFF6LY4
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 376592-58-4

    2. 3-(5-chloro-2-hydroxy-3-nitrophenyl)benzoic Acid

    3. Ln3aff6ly4

    4. 5'-chloro-2'-hydroxy-3'-nitro-(1,1'-biphenyl)-3-carboxylic Acid

    5. 5'-chloro-2'-hydroxy-3'-nitro[1,1'-biphenyl]-3-carboxylic Acid

    6. 5'-chloro-2'-hydroxy-3'-nitro(1,1'-biphenyl)-3-carboxylic Acid

    7. Unii-ln3aff6ly4

    8. Amy804

    9. Schembl2404465

    10. Dtxsid30610510

    11. 5'-chloro-2'-hydroxy-3'-nitro-[1,1'-biphenyl]-3-carboxylicacid

    12. Bcp14188

    13. Cs-b0771

    14. Mfcd13184302

    15. Zinc36377904

    16. Akos016004357

    17. Ds-3721

    18. Ac-30854

    19. Db-069582

    20. Ft-0654505

    21. F11837

    22. A823812

    23. 3-(5-chloranyl-3-nitro-2-oxidanyl-phenyl)benzoic Acid

    24. [1,1'-biphenyl]-3-carboxylic Acid,5'-chloro-2'-hydroxy-3'-nitro-

    25. 5'-chloro-2'-hydoxy-3'-nitro-(1,1'-biphenyl)-3-carboxylic Acid

    26. [1,1'-biphenyl]-3-carboxylic Acid, 5'-chloro-2'-hydroxy-3'-nitro-

    2.4 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 293.66 g/mol
    Molecular Formula C13H8ClNO5
    XLogP33.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass293.0091000 g/mol
    Monoisotopic Mass293.0091000 g/mol
    Topological Polar Surface Area103 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity385
    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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                          Shanghai Daishang Chemical Co., Ltd. established in January 2005, sticking to the guiding principle "Technical innovation, Quality Orientation", we practice best of technology innovation, optimized management and robust service system for our customers. Daishang Chem is specialized in the researching, manufacturing, sales and marketing of API & Its Intermediates as well as other Fine Chemicals, taking great advantages of professional and proficient staff, based on three chemical manufacturing sites and one GMP manufacturing workshops in Liaoning, Henan and Zhejiang provinces, and one R&D laboratory in Zhangjiang Hi-tech Park.
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                                Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leader...
                                Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leadership of a “National 1000 Talents Program” expert. By leveraging its core competency in chiral synthesis, enzymatic catalysis and continuous flow micro reactor, HwaGen Pharmaceutical is dedicated to development and manufacturing of specialty and niche intermediates and APIs covering various therapeutic areas including oncology, antiviral and respiratory, delivering high value-added and affordable products for global pharmaceutical industry. Equipments for Analysis & Test include Tabletop NMR, LC-MS, GC, HPLC etc.
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