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    CAS-2905-62-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2905-62-6, Benzoyl chloride, 3,5-dichloro-, 3,5-dichlorobenzoylchloride, S09182623n, Mfcd00009817, Einecs 220-813-6
    Molecular Formula
    C7H3Cl3O
    Molecular Weight
    209.5  g/mol
    InChI Key
    GGHLXLVPNZMBQR-UHFFFAOYSA-N
    FDA UNII
    S09182623N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3,5-dichlorobenzoyl chloride
    2.1.2 InChI
    InChI=1S/C7H3Cl3O/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H
    2.1.3 InChI Key
    GGHLXLVPNZMBQR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C=C(C=C1Cl)Cl)C(=O)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    S09182623N
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2905-62-6

    2. Benzoyl Chloride, 3,5-dichloro-

    3. 3,5-dichlorobenzoylchloride

    4. S09182623n

    5. Mfcd00009817

    6. Einecs 220-813-6

    7. Rh-24,299

    8. Unii-s09182623n

    9. Dichlorobenzoylchloride(3,5-)

    10. Dsstox_cid_7506

    11. Ec 220-813-6

    12. Dsstox_rid_78478

    13. Dsstox_gsid_27506

    14. Schembl93282

    15. 3,5-dichloro Benzoyl Chloride

    16. 3,5-dichloro-benzoyl Chloride

    17. Chembl3184849

    18. Dtxsid1027506

    19. Amy14529

    20. Zinc2166928

    21. Tox21_200629

    22. 3,5-dichlorobenzoyl Chloride, 96%

    23. Akos005256295

    24. 3,5-dichloro-1-benzenecarbonyl Chloride

    25. Ncgc00164131-01

    26. Ncgc00164131-02

    27. Ncgc00258183-01

    28. 3,5-dichlorobenzoic Acid Chloride

    29. Ps-10776

    30. Cas-2905-62-6

    31. Db-022031

    32. J149.672g

    33. D1404

    34. Ft-0614560

    35. 05d626

    36. E76469

    37. A819744

    38. W-107009

    39. Q27288386

    40. F2158-0705

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 209.5 g/mol
    Molecular Formula C7H3Cl3O
    XLogP33.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass207.924948 g/mol
    Monoisotopic Mass207.924948 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity150
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1