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    CAS 763114-26-7

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    CAS 763114-26-7
    Also known as: 763114-26-7, 2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoic acid, 2-fluoro-5-[(4-oxo-3h-phthalazin-1-yl)methyl]benzoic acid, C16h11fn2o3, Benzoic acid, 5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluoro-, Mfcd14636678
    Molecular Formula
    C16H11FN2O3
    Molecular Weight
    298.27  g/mol
    InChI Key
    PAXLJNGPFJEKQX-UHFFFAOYSA-N
    1 2D Structure

    CAS 763114-26-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid
    2.1.2 InChI
    InChI=1S/C16H11FN2O3/c17-13-6-5-9(7-12(13)16(21)22)8-14-10-3-1-2-4-11(10)15(20)19-18-14/h1-7H,8H2,(H,19,20)(H,21,22)
    2.1.3 InChI Key
    PAXLJNGPFJEKQX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC(=C(C=C3)F)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 763114-26-7

    2. 2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoic Acid

    3. 2-fluoro-5-[(4-oxo-3h-phthalazin-1-yl)methyl]benzoic Acid

    4. C16h11fn2o3

    5. Benzoic Acid, 5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluoro-

    6. Mfcd14636678

    7. 2-fluoro-5-[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]benzoic Acid

    8. Schembl78452

    9. Ambz0090

    10. Dtxsid20647416

    11. Bcp01659

    12. Cs-m1900

    13. Rb3259

    14. Zinc82046554

    15. Akos015996964

    16. Am85904

    17. Sb17769

    18. Ss-4579

    19. Ac-29313

    20. Sy033510

    21. Ft-0688443

    22. A856104

    23. 2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoicacid

    24. 2-fluoro-5-(4-oxo-3,4-dihydro-phthalazin-1-ylmethyl)-benzoic Acid

    25. 2-fluoro-5-(4-oxo-3,4-dihydro-phthalazin-1-ylmethyl)benzoic Acid

    26. 2-fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)benzoic Acid

    27. 2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1 -yl)methyl]benzoic Acid

    28. 2-fluoro-5-[(4-oxo-3,4-dihydrophthalazine-1-yl)methyl]benzoic Acid

    29. Not Available;2-fluoro-5-[(4-oxo-3,4-dihydro-1-phthalazinyl)methyl]benzoic Acid

    2.3 Create Date
    2008-06-16
    3 Chemical and Physical Properties
    Molecular Weight 298.27 g/mol
    Molecular Formula C16H11FN2O3
    XLogP32.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass298.07537038 g/mol
    Monoisotopic Mass298.07537038 g/mol
    Topological Polar Surface Area78.8 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity494
    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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    We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experie...
    We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experience & presence in 20+ countries. At Boyuan, we are committed to providing high-quality products & services. Formerly known as “Jinan Boyuan Chemical Co., Ltd” & “Shandong Boyuan Chemical Co., Ltd.” Boyuan was founded in June 2001. We have 2 manufacturing plants in the cities of Jiyang & Yucheng in Shandong Province, China & both are in line with the GMP standard, following a strict quality system & conforming with international standards. Boyuan is dedicated to anti-cancer, anti-fungal & other APIs & intermediates associated.
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      Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological develop...
      Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine chemicals and fundamental chemical materials. It has an efficient research and development team. Beijing Mesochem provides its customers customized development, craft optimization, contract customization and outsourcing services. The company has a well-established industrial base in Weinan, Shanxi Province. The production base features a 20,000 ㎡ plant with a production capacity of over 8,000 MT per year.
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        Novick Bio-Sciences is a rapidly-growing Contract Research and Development Organization (CRDO) providing ...
        Novick Bio-Sciences is a rapidly-growing Contract Research and Development Organization (CRDO) providing chemistry and formulation development services to Global Pharmaceutical, Bio-tech, Agrochemical Research Organizations and Academics to help our customers achieve their goals.Our commitment to scientists and researches alike is to offer the highest quality products with the most competitive pricing in a time effective manner delivering the research tools necessary in today’s competitive landscape.
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          Shanghai fine pharma founded in 2014, is a professional enterprise with chemical reagents and fine chemic...
          Shanghai fine pharma founded in 2014, is a professional enterprise with chemical reagents and fine chemical products development, development and trade. The company has a sound research and development system, advanced technology and equipment, and has a strong ability of independent research and development and innovation. The company has a complete sales network and a comprehensive service system. All kinds of chemical products sold are widely used in pharmaceutical enterprises, scientific research institutions, tertiary institutions, medical institutions, inspection and quarantine, analytical and testing enterprises, etc.
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