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    CAS 92878-95-0

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    CAS 92878-95-0
    Also known as: 92878-95-0, Ec 618-883-1, Schembl5099839, Dtxsid00535665, Bcp31074, Ex-a4058
    Molecular Formula
    C10H12ClNO4
    Molecular Weight
    245.66  g/mol
    InChI Key
    JHFBALWBVABSLF-UHFFFAOYSA-N
    1 2D Structure

    CAS 92878-95-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(3-chloropropoxy)-1-methoxy-4-nitrobenzene
    2.1.2 InChI
    InChI=1S/C10H12ClNO4/c1-15-9-4-3-8(12(13)14)7-10(9)16-6-2-5-11/h3-4,7H,2,5-6H2,1H3
    2.1.3 InChI Key
    JHFBALWBVABSLF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C(C=C1)[N+](=O)[O-])OCCCCl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 92878-95-0

    2. Ec 618-883-1

    3. Schembl5099839

    4. Dtxsid00535665

    5. Bcp31074

    6. Ex-a4058

    7. Zinc22162705

    8. Akos000136933

    9. Ac-23992

    10. Ft-0687616

    11. 2(3-chloropropoxy)-1-methoxy-4-nitrobenzene

    12. 878c950

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 245.66 g/mol
    Molecular Formula C10H12ClNO4
    XLogP33.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass245.0454856 g/mol
    Monoisotopic Mass245.0454856 g/mol
    Topological Polar Surface Area64.3 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity221
    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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    Aarti Pharmalabs

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    Aarti Pharmalabs

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    Note: None of the products will be supplied to countries in which this could be in conflict with existing patents. Further, any products under patent will be offered for R&D purposes only. However, the final responsibility lies with the buyer.

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    Jinan Tantu Chemicals

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      Jinan Tantu Chemicals

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        Innovassynth Technologies (I) Ltd

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