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    CAS 127892-62-0

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    CAS 127892-62-0
    Also known as: 127892-62-0, 1h-pyrazole-5-carboxylic acid, 4-chloro-3-ethyl-1-methyl-, 4-chloro-5-ethyl-2-methylpyrazole-3-carboxylic acid, Schembl4768937, 4-chloro-3-ethyl-1-methyl-1h-pyrazole-5-carboxylicacid, 4-chloro-5-ethyl-2-methyl-2h-pyrazole-3-carboxylic acid
    Molecular Formula
    C7H9ClN2O2
    Molecular Weight
    188.61  g/mol
    InChI Key
    NXAIFVHVBHMNJS-UHFFFAOYSA-N
    1 2D Structure

    CAS 127892-62-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-chloro-5-ethyl-2-methylpyrazole-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C7H9ClN2O2/c1-3-4-5(8)6(7(11)12)10(2)9-4/h3H2,1-2H3,(H,11,12)
    2.1.3 InChI Key
    NXAIFVHVBHMNJS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC1=NN(C(=C1Cl)C(=O)O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 127892-62-0

    2. 1h-pyrazole-5-carboxylic Acid, 4-chloro-3-ethyl-1-methyl-

    3. 4-chloro-5-ethyl-2-methylpyrazole-3-carboxylic Acid

    4. Schembl4768937

    5. 4-chloro-3-ethyl-1-methyl-1h-pyrazole-5-carboxylicacid

    6. 4-chloro-5-ethyl-2-methyl-2h-pyrazole-3-carboxylic Acid

    7. Dtxsid60563848

    8. Nxaifvhvbhmnjs-uhfffaoysa-n

    9. Amy22090

    10. Mfcd08459057

    11. Akos006291223

    12. Ds-14982

    13. C3644

    14. Cl 810,728

    15. Cs-0094006

    16. Ft-0762630

    17. En300-373834

    18. F16455

    19. A805764

    20. Z1198179718

    21. 4-chloro -3-ethyl -1-methyl -1h-pyrazole-5-carboxylic Acid

    2.3 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 188.61 g/mol
    Molecular Formula C7H9ClN2O2
    XLogP31.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area55.1
    Heavy Atom Count12
    Formal Charge0
    Complexity188
    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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