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    CAS-24589-77-3

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 24589-77-3, 4-hydrazinylbenzoic acid hydrochloride, P-hydrazinobenzoic acid hydrochloride, 4-carboxyphenylhydrazine hydrochloride, Benzoic acid, 4-hydrazino-, monohydrochloride, 4-carboxyphenylhydrazinium chloride
    Molecular Formula
    C7H9ClN2O2
    Molecular Weight
    188.61  g/mol
    InChI Key
    XHLQMKQBCHYRLC-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-hydrazinylbenzoic acid;hydrochloride
    2.1.2 InChI
    InChI=1S/C7H8N2O2.ClH/c8-9-6-3-1-5(2-4-6)7(10)11;/h1-4,9H,8H2,(H,10,11);1H
    2.1.3 InChI Key
    XHLQMKQBCHYRLC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C(=O)O)NN.Cl
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 4-hydrazinobenzoic Acid

    2. 4-hydrazinobenzoic Acid Monohydrochloride

    2.2.2 Depositor-Supplied Synonyms

    1. 24589-77-3

    2. 4-hydrazinylbenzoic Acid Hydrochloride

    3. P-hydrazinobenzoic Acid Hydrochloride

    4. 4-carboxyphenylhydrazine Hydrochloride

    5. Benzoic Acid, 4-hydrazino-, Monohydrochloride

    6. 4-carboxyphenylhydrazinium Chloride

    7. P-hydrazinobenzoic Acid.hcl

    8. P-carboxyphenylhydrazine Hydrochloride

    9. 4-hydrazinylbenzoic Acid;hydrochloride

    10. 4-hydrazinobenzoic Acid, Hcl

    11. Mfcd00039073

    12. Benzoic Acid, 4-hydrazinyl-, Hydrochloride (1:1)

    13. Einecs 246-330-0

    14. 4-hydrazinobenzoic Acid Monohydrochloride

    15. Ccris 7999

    16. Nsc 153171

    17. Benzoic Acid, P-hydrazino-, Monohydrochloride

    18. 4-hydrazinylbenzoic Acid,hydrochloride

    19. Dsstox_cid_709

    20. 4-hydrazinylbenzoic Acid Hcl

    21. Dsstox_rid_75750

    22. Dsstox_gsid_20709

    23. Schembl83661

    24. Chembl3184112

    25. Dtxsid8020709

    26. 4-hydrazinobenzoic Acid Hcl

    27. 4-hydrazinylbenzoicacidhydrochloride

    28. Act07676

    29. Tox21_200500

    30. Nsc153171

    31. 4-carboxyphenyl Hydrazine Hydrochloride

    32. Akos001476465

    33. Cs-w015985

    34. Gs-3148

    35. Nsc-153171

    36. Ncgc00258054-01

    37. 4-hydrazinobenzoic Acid Hydrochloride Salt

    38. Ac-19633

    39. Sy022152

    40. 4-hydrazinobenzoic Acid Hydrochloride, 98%

    41. Cas-24589-77-3

    42. Ft-0618609

    43. 589h773

    44. W-107300

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 188.61 g/mol
    Molecular Formula C7H9ClN2O2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass188.0352552 g/mol
    Monoisotopic Mass188.0352552 g/mol
    Topological Polar Surface Area75.4 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity141
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2