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    CAS 129722-34-5
    Also known as: 129722-34-5, 3,4-dihydro-7-(4-bromobutoxy)-2(1h)-quinolinone, 7-(4-bromobutoxy)-3,4-dihydro-2(1h)-quinolinone, 7-(4-bromo-butoxy)-3,4-dihydro-1h-quinolin-2-one, 7-(4-bromobutoxy)-3,4-dihydro-2-quinolinone, 7-(4-bromobutoxy)-3,4-dihydro-1h-quinolin-2-one
    Molecular Formula
    C13H16BrNO2
    Molecular Weight
    298.18  g/mol
    InChI Key
    URHLNHVYMNBPEO-UHFFFAOYSA-N
    1 2D Structure

    CAS 129722-34-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-(4-bromobutoxy)-3,4-dihydro-1H-quinolin-2-one
    2.1.2 InChI
    InChI=1S/C13H16BrNO2/c14-7-1-2-8-17-11-5-3-10-4-6-13(16)15-12(10)9-11/h3,5,9H,1-2,4,6-8H2,(H,15,16)
    2.1.3 InChI Key
    URHLNHVYMNBPEO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC(=O)NC2=C1C=CC(=C2)OCCCCBr
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 129722-34-5

    2. 3,4-dihydro-7-(4-bromobutoxy)-2(1h)-quinolinone

    3. 7-(4-bromobutoxy)-3,4-dihydro-2(1h)-quinolinone

    4. 7-(4-bromo-butoxy)-3,4-dihydro-1h-quinolin-2-one

    5. 7-(4-bromobutoxy)-3,4-dihydro-2-quinolinone

    6. 7-(4-bromobutoxy)-3,4-dihydro-1h-quinolin-2-one

    7. 2(1h)-quinolinone, 7-(4-bromobutoxy)-3,4-dihydro-

    8. (1h)-7-(4'-bromobutoxy)-3,4-dihydro-2-quinolinone

    9. 7-(4-bromobutoxy)-3,4-dihydroquinolinone

    10. 7-(4-bromobutoxy)-3,4-dihydroquinolin-2-one

    11. Mfcd06658540

    12. 7-(4-bromobutoxy)-2(1h)-3,4-dihydroquinolinone

    13. Aripiprazole Impurity

    14. Aripiprazole Intermediates

    15. Schembl8513

    16. 7-(4-bromobutoxy)-1,2,3,4-tetrahydro-2-oxoquinoline

    17. Dtxsid00441550

    18. Bcp08864

    19. Cs-d1542

    20. Bbl011057

    21. Stk802231

    22. Zinc15919788

    23. Akos005622563

    24. Ac-8060

    25. Sb32672

    26. 7-(4-bromobutoxy)-3,4-dihydroquinolin-

    27. 7-(4bromobutoxy)-3,4-dihydrocarbostyril

    28. Aripiprazole Bromobutoxyquinoline Impurity

    29. As-14609

    30. Sy023585

    31. 7-(4-bromobutoxy) 3,4-dihydrocarbostyril

    32. 7-(4-bromobutoxy)-3,4-dihydrocarbostyril

    33. Db-017885

    34. Am20090765

    35. B3333

    36. Ft-0643115

    37. 722b345

    38. A805968

    39. 7-(4-bromo-butoxy)-3,4-dihydro-1h-quinolin-2one

    40. A1-01685

    41. 7-(4-bromobutoxy)-1,2,3,4-tetrahydroquinolin-2-one

    42. 7-(4-bromobutoxy)-3,4-dihydroquinolin-2-one-[d8]

    43. 7-(4-bromobutoxy)-1,2,3,4-tetrahydroquinoline-2-one

    44. F2135-0630

    45. 7-(4-bromobutoxy)-3,4-dihydro-1h-quinolin-2-one;7-(4-bromobutoxy)-3,4-dihydroquinolin-2(1h)-one

    46. 7-(4-bromobutoxy)-3,4-dihydroquinolin-2-one; 3,4-dihydro-7-(4-bromobutoxy)-2(1h)-quinolinone; 7-(4-bromobutoxy)-3,4-dihydroquinolin-2(1h)-one

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 298.18 g/mol
    Molecular Formula C13H16BrNO2
    XLogP32.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count5
    Exact Mass297.03644 g/mol
    Monoisotopic Mass297.03644 g/mol
    Topological Polar Surface Area38.3 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity260
    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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        Established in 2003 with small pilot plant and came in to commercial production in 2013 in the name of Al...
        Established in 2003 with small pilot plant and came in to commercial production in 2013 in the name of Allchem Laboratories, it is an independent privately owned company.Name changed from Allchem Laboratories to Allchem Lifescience Pvt. Ltd in April-2017.We are Allchem Lifescience Pvt Ltd., a fully cGMP compliant pharmaceutical intermediates plant located in the outskirts of Vadodara, Gujarat, India. (Location :400 km north of Mumbai at Vadodara, Gujarat, INDIA).
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