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    CAS 851784-82-2

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    CAS 851784-82-2
    Also known as: 851784-82-2, 2-[(tert-butoxy)carbonyl]-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid, 5,7-dichloro-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1h-isoquinoline-6-carboxylic acid, 2-boc-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid, Mfcd22370640, Schembl4546560
    Molecular Formula
    C15H17Cl2NO4
    Molecular Weight
    346.2  g/mol
    InChI Key
    JXBQRXIJBFUZMR-UHFFFAOYSA-N
    1 2D Structure

    CAS 851784-82-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5,7-dichloro-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
    2.1.2 InChI
    InChI=1S/C15H17Cl2NO4/c1-15(2,3)22-14(21)18-5-4-9-8(7-18)6-10(16)11(12(9)17)13(19)20/h6H,4-5,7H2,1-3H3,(H,19,20)
    2.1.3 InChI Key
    JXBQRXIJBFUZMR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)N1CCC2=C(C(=C(C=C2C1)Cl)C(=O)O)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 851784-82-2

    2. 2-[(tert-butoxy)carbonyl]-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic Acid

    3. 5,7-dichloro-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1h-isoquinoline-6-carboxylic Acid

    4. 2-boc-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic Acid

    5. Mfcd22370640

    6. Schembl4546560

    7. Amy3354

    8. Bcp16993

    9. Bjb78482

    10. Akos026674290

    11. Zinc137764711

    12. Ds-9856

    13. Sb73983

    14. Ac-30963

    15. Sy078730

    16. Db-098239

    17. Cs-0040711

    18. Ft-0700787

    19. Ft-0700788

    20. Ft-0700790

    21. P15960

    22. A863665

    23. 2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylicacid

    24. 5,7-dichloro-3,4-dihydro-2,6(1h)-isoquinolinedicarboxylic Acid 2-(1,1-dimethylethyl) Ester

    2.3 Create Date
    2009-12-22
    3 Chemical and Physical Properties
    Molecular Weight 346.2 g/mol
    Molecular Formula C15H17Cl2NO4
    XLogP33.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass345.0534634 g/mol
    Monoisotopic Mass345.0534634 g/mol
    Topological Polar Surface Area66.8 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity451
    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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          Fuan Pharmaceutical (Group) Co., Ltd. was established on February 25, 2004. The company is located in Cho...
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          Fuan Pharmaceutical (Group) Co., Ltd. was established on February 25, 2004. The company is located in Cho...
          Fuan Pharmaceutical (Group) Co., Ltd. was established on February 25, 2004. The company is located in Chongqing Changshou Economic and Technological Development Zone, covering an area of about 100 acres, a construction area of over 30,000 square meters, and a registered capital of 1.189 billion yuan. It is the first company in Changshou Economic and Technological Development Zone successfully listed on the Shenzhen GEM (March 22, 2011, stock code: 300194). The company has 9 wholly-owned and holding subsidiaries. In March 2008, Fuan Pharmaceutical Group Chongqing Lybon Pharm-Tech Co
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              Established in 2011 and situated in Hangzhou, Zhejiang, China, Hangzhou Longshine Bio-Tech CO., Ltd is de...
              Established in 2011 and situated in Hangzhou, Zhejiang, China, Hangzhou Longshine Bio-Tech CO., Ltd is dedicated to providing services for pharmaceutical and chemical products, catering to both export and import markets. The company consists of two primary business departments: the Professional Sourcing/Product Team and the Quality Team. Backed by experienced partners, Longshine has evolved into a trustworthy supplier of high-quality products and received ISO9001:2008 certification in 2017.
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                Established in 2011 and situated in Hangzhou, Zhejiang, China, Hangzhou Longshine Bio-Tech CO., Ltd is de...
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