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    CAS 73963-42-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 73963-42-5, 1-cyclohexyl-5-(4-chlorobutyl)-1h-tetrazole, 5-(4-chlorobutyl)-1-cyclohexyltetrazole, 5-(4-chlorobutyl)-1-cyclohexanyl tetrazole, 1h-tetrazole, 5-(4-chlorobutyl)-1-cyclohexyl-, 5-(4-chlorobuty)-1-cyclohexyl tetrazol
    Molecular Formula
    C11H19ClN4
    Molecular Weight
    242.75  g/mol
    InChI Key
    INTQSGGUSUSCTJ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-(4-chlorobutyl)-1-cyclohexyltetrazole
    2.1.2 InChI
    InChI=1S/C11H19ClN4/c12-9-5-4-8-11-13-14-15-16(11)10-6-2-1-3-7-10/h10H,1-9H2
    2.1.3 InChI Key
    INTQSGGUSUSCTJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCC(CC1)N2C(=NN=N2)CCCCCl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 73963-42-5

    2. 1-cyclohexyl-5-(4-chlorobutyl)-1h-tetrazole

    3. 5-(4-chlorobutyl)-1-cyclohexyltetrazole

    4. 5-(4-chlorobutyl)-1-cyclohexanyl Tetrazole

    5. 1h-tetrazole, 5-(4-chlorobutyl)-1-cyclohexyl-

    6. 5-(4-chlorobuty)-1-cyclohexyl Tetrazol

    7. 5-(4-chlorobuty)-1-cyclohexyl Tetrazole

    8. 5-(4-chlorobutyl)-1-cyclohexyl-tetrazole

    9. 1-cyclohexyl-5-(4-chlorobutyl)tetrazole

    10. Ec 616-036-0

    11. Schembl1031402

    12. Dtxsid20459132

    13. Amy13545

    14. Zinc2572703

    15. Mfcd01076191

    16. Akos015850585

    17. Ac-4335

    18. Am90306

    19. As-12402

    20. 1-cyclohexyl-5-(4-chlorobutyl) Tetrazole

    21. 1-cyclohexyl-5-(4-chlorobutyl)-tetrazole

    22. Db-019141

    23. 5-(4chlorobutyl)-1-cyclohexyl-1h-tetrazole

    24. Cs-0210299

    25. Ft-0664587

    26. D87626

    27. 963c425

    28. A837981

    29. J-516221

    30. 1-cyclohexyl-5-(4-chlorobutyl)-1,2,3,4-tetrazole

    31. 5-(4-chlorobutyl)-1-cyclohexyl-1h-1,2,3,4-tetrazole

    32. 5-(4-chlorobuty)-1-cyclohexyl;6-hydroxy-3 Pound Not4-dihydroquinolone

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 242.75 g/mol
    Molecular Formula C11H19ClN4
    XLogP32.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count5
    Exact Mass242.1298243 g/mol
    Monoisotopic Mass242.1298243 g/mol
    Topological Polar Surface Area43.6 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity196
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1