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    BUILDING BLOCK

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    Chemistry

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    Also known as: 1195768-18-3, 3-amino-2-fluoro-benzoic acid methyl ester, 3-amino-2-fluorobenzoic acid methyl ester, Methyl3-amino-2-fluorobenzoate, Benzoic acid, 3-amino-2-fluoro-, methyl ester, Schembl1126859
    Molecular Formula
    C8H8FNO2
    Molecular Weight
    169.15  g/mol
    InChI Key
    UOYDNSRSUSNCKS-UHFFFAOYSA-N
    CAS 1195768-18-3
    1 2D Structure

    CAS 1195768-18-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 3-amino-2-fluorobenzoate
    2.1.2 InChI
    InChI=1S/C8H8FNO2/c1-12-8(11)5-3-2-4-6(10)7(5)9/h2-4H,10H2,1H3
    2.1.3 InChI Key
    UOYDNSRSUSNCKS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C1=C(C(=CC=C1)N)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1195768-18-3

    2. 3-amino-2-fluoro-benzoic Acid Methyl Ester

    3. 3-amino-2-fluorobenzoic Acid Methyl Ester

    4. Methyl3-amino-2-fluorobenzoate

    5. Benzoic Acid, 3-amino-2-fluoro-, Methyl Ester

    6. Schembl1126859

    7. Dtxsid80673195

    8. Methyl 3-amino-2-fluoro-benzoate

    9. Amy30204

    10. Bcp12561

    11. Vxb76818

    12. Mfcd12923265

    13. Zinc47202222

    14. Akos016006681

    15. Sb31638

    16. As-42407

    17. Db-061571

    18. Cs-0038763

    19. Ft-0660924

    20. M2868

    21. Z2208497489

    2.3 Create Date
    2010-07-21
    3 Chemical and Physical Properties
    Molecular Weight 169.15 g/mol
    Molecular Formula C8H8FNO2
    XLogP31.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass169.05390666 g/mol
    Monoisotopic Mass169.05390666 g/mol
    Topological Polar Surface Area52.3 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity174
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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    SUPPLIERS

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    01

    Guangdong Raffles PharmaTech Co Ltd

    China
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    Methyl 3-amino-2-fluorobenzoate

    CAS Number : 1195768-18-3

    End Use API :

    End Use API : Dabrafenib Mesylate

    About the Company : Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manufacturing and sales of high-value added active pharmaceutical ingredients and int...

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    02

    Jinan Tantu Chemicals

    Methyl 3-amino-2-fluorobenzoate
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    Jinan Tantu Chemicals

    China
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    Methyl 3-amino-2-fluorobenzoate

    CAS Number : 1195768-18-3

    End Use API :

    End Use API : Dabrafenib Mesylate

    About the Company : Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) that serves pharmaceutical companies worldwide. Our core services include custom...

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    END USE APIs

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    01

    Dabrafenib Mesylate

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    Fermion Oy

    Finland

    With Fermion, start the journey of your innovative API.

    Seqens

    France

    Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients, & custom-made solutions to our customers.

    Egis Pharmaceuticals PLC

    Hungary

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    TAPI Technology & API Ser...

    Israel

    TAPI, a leading global supplier of APIs, provides over 350 products and customized CDMO solutions for every stage of development.

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    India

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