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    CAS 98556-31-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 98556-31-1, 4-chloro-6-iodo-quinazoline, Quinazoline, 4-chloro-6-iodo-, Mfcd01862193, 6-iodo-4-chloroquinazoline, 4chloro-6-iodoquinazoline
    Molecular Formula
    C8H4ClIN2
    Molecular Weight
    290.49  g/mol
    InChI Key
    BDAIUOPDSRAOKI-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-chloro-6-iodoquinazoline
    2.1.2 InChI
    InChI=1S/C8H4ClIN2/c9-8-6-3-5(10)1-2-7(6)11-4-12-8/h1-4H
    2.1.3 InChI Key
    BDAIUOPDSRAOKI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C=C1I)C(=NC=N2)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 98556-31-1

    2. 4-chloro-6-iodo-quinazoline

    3. Quinazoline, 4-chloro-6-iodo-

    4. Mfcd01862193

    5. 6-iodo-4-chloroquinazoline

    6. 4chloro-6-iodoquinazoline

    7. 6-iodo4-chloroquinazoline

    8. 4-chloro-6-iodo Quinazoline

    9. Schembl140574

    10. 4-chloro-6-iodo-quinazoline-

    11. Dtxsid50457722

    12. Bdaiuopdsraoki-uhfffaoysa-n

    13. Bcp22644

    14. Akos015851274

    15. Ac-8507

    16. Cs-w019529

    17. Pb19952

    18. As-11431

    19. Sy020620

    20. Am20090785

    21. C2775

    22. Ft-0656664

    23. En300-80629

    24. A19365

    25. Ar-527/43405044

    26. Q-101354

    27. Z1222427648

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 290.49 g/mol
    Molecular Formula C8H4ClIN2
    XLogP33.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area25.8
    Heavy Atom Count12
    Formal Charge0
    Complexity167
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1