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    BUILDING BLOCK

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    Chemistry

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    Also known as: 152460-07-6, Guanidine,(2-methyl-5-nitrophenyl), 1-(2-methyl-5-nitrophenyl)guanidine, 2-(2-methyl-5-nitrophenyl)guanidine, Guanidine,n-(2-methyl-5-nitrophenyl)-, Schembl1583292
    Molecular Formula
    C8H10N4O2
    Molecular Weight
    194.19  g/mol
    InChI Key
    LAZBONZCMJREIQ-UHFFFAOYSA-N
    CAS 152460-07-6
    1 2D Structure

    CAS 152460-07-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(2-methyl-5-nitrophenyl)guanidine
    2.1.2 InChI
    InChI=1S/C8H10N4O2/c1-5-2-3-6(12(13)14)4-7(5)11-8(9)10/h2-4H,1H3,(H4,9,10,11)
    2.1.3 InChI Key
    LAZBONZCMJREIQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=C(C=C1)[N+](=O)[O-])N=C(N)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 152460-07-6

    2. Guanidine,(2-methyl-5-nitrophenyl)

    3. 1-(2-methyl-5-nitrophenyl)guanidine

    4. 2-(2-methyl-5-nitrophenyl)guanidine

    5. Guanidine,n-(2-methyl-5-nitrophenyl)-

    6. Schembl1583292

    7. (2-methyl-5-nitrophenyl)guanidine

    8. Zinc2513613

    9. Akos006280007

    10. Mb02715

    11. N-(2-methyl-5-nitrophenyl)-guanidine

    12. Db-063944

    13. Ft-0701528

    14. J3.562.571b

    15. 460m076

    16. J-522958

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 194.19 g/mol
    Molecular Formula C8H10N4O2
    XLogP31
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass194.08037557 g/mol
    Monoisotopic Mass194.08037557 g/mol
    Topological Polar Surface Area110 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity244
    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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