menu
    • menu

    CAS 27022-97-5 manufacturers and suppliers on PharmaCompass

    Client Email Product
    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    Virtual Booth

    Contact Supplier

    FAMAR CDMO- From early development to commercial manufacturing.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-09-09

    Virtual Booth

    Contact Supplier

    Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients & provides custom-made solutions.

    Virtual Booth

    Contact Supplier

    Veranova: A CDMO that manages complexity with confidence.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-09-09

    Virtual Booth

    Contact Supplier

    BUILDING BLOCK

    PharmaCompass

    Chemistry

    Click the arrow to open the dropdown
    read-moreClick the button for full data set
    read-moreClick the button for full data set
    Also known as: 27022-97-5, 2,5-dimethyl-3-nitrobenzoicacid, Benzoic acid,2,5-dimethyl-3-nitro-, Benzoic acid, 2,5-dimethyl-3-nitro-, Nsc85207, Nciopen2_001010
    Molecular Formula
    C9H9NO4
    Molecular Weight
    195.17  g/mol
    InChI Key
    CXGZFDGAQVAGHA-UHFFFAOYSA-N
    CAS 27022-97-5
    1 2D Structure

    CAS 27022-97-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,5-dimethyl-3-nitrobenzoic acid
    2.1.2 InChI
    InChI=1S/C9H9NO4/c1-5-3-7(9(11)12)6(2)8(4-5)10(13)14/h3-4H,1-2H3,(H,11,12)
    2.1.3 InChI Key
    CXGZFDGAQVAGHA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=C(C(=C1)[N+](=O)[O-])C)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 27022-97-5

    2. 2,5-dimethyl-3-nitrobenzoicacid

    3. Benzoic Acid,2,5-dimethyl-3-nitro-

    4. Benzoic Acid, 2,5-dimethyl-3-nitro-

    5. Nsc85207

    6. Nciopen2_001010

    7. Schembl6830067

    8. Dtxsid70292738

    9. Zinc1752319

    10. Mfcd02258778

    11. Nsc-85207

    12. Akos006277454

    13. As-36806

    14. Da-27184

    15. Cs-0131340

    16. Ft-0717204

    17. A929635

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 195.17 g/mol
    Molecular Formula C9H9NO4
    XLogP32
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass195.05315777 g/mol
    Monoisotopic Mass195.05315777 g/mol
    Topological Polar Surface Area83.1 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity248
    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

    Upload your portfolio for free, ask us
    Ask Us for Pharmaceutical Supplier and Partner
    Ask Us, Find A Supplier / Partner
    No Commissions, No Strings Attached, Get Connected for FREE

    What are you looking for?

    How can we help you?

    The request can't be empty

    Please read our Privacy Policy carefully

    You must agree to the privacy policy

    The name can't be empty
    The company can't be empty.
    The email can't be empty Please enter a valid email.
    The mobile can't be empty

    Market Place

    Market Place

    PharmaCompass

    Home

    Market Place

    Menu

    Post Enquiry

    Post Enquiry

    Market Place

    Market Place

    Search