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    CAS 17609-80-2 manufacturers and suppliers on PharmaCompass

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    4CH-013335

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    PharmaCompass
    4CH-013335
    Also known as: 17609-80-2, Phenol, 4-amino-3-chloro-, 3-chloro-4-aminophenol, 2-chloro-4-hydroxyaniline, 4-amino-3-chloro-phenol, Mfcd00801116
    Molecular Formula
    C6H6ClNO
    Molecular Weight
    143.57  g/mol
    InChI Key
    PNLPXABQLXSICH-UHFFFAOYSA-N
    1 2D Structure

    4CH-013335

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-amino-3-chlorophenol
    2.1.2 InChI
    InChI=1S/C6H6ClNO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2
    2.1.3 InChI Key
    PNLPXABQLXSICH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1O)Cl)N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 3-chloro-4-aminophenol

    2.2.2 Depositor-Supplied Synonyms

    1. 17609-80-2

    2. Phenol, 4-amino-3-chloro-

    3. 3-chloro-4-aminophenol

    4. 2-chloro-4-hydroxyaniline

    5. 4-amino-3-chloro-phenol

    6. Mfcd00801116

    7. Einecs 241-583-3

    8. Brn 2802558

    9. Schembl33714

    10. 3-13-00-01184 (beilstein Handbook Reference)

    11. Dtxsid30170083

    12. Am790

    13. Zinc395500

    14. Act11707

    15. Bcp09854

    16. Akos009157102

    17. Ac-7579

    18. Cs-w019864

    19. Mb01478

    20. Ds-12517

    21. Sy019740

    22. A3909

    23. Ft-0602142

    24. 3-chloro-4-aminophenol;4-amino-3-chloro-pheno

    25. A19882

    26. 609a802

    27. An-584/43422655

    28. W-107841

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 143.57 g/mol
    Molecular Formula C6H6ClNO
    XLogP31.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass143.0137915 g/mol
    Monoisotopic Mass143.0137915 g/mol
    Topological Polar Surface Area46.2 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity99.1
    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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