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    CAS-619-73-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 619-73-8, (4-nitrophenyl)methanol, P-nitrobenzyl alcohol, 4-nitrobenzenemethanol, Benzenemethanol, 4-nitro-, P-(hydroxymethyl)nitrobenzene
    Molecular Formula
    C7H7NO3
    Molecular Weight
    153.14  g/mol
    InChI Key
    JKTYGPATCNUWKN-UHFFFAOYSA-N
    FDA UNII
    86BTJ68Y9M
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4-nitrophenyl)methanol
    2.1.2 InChI
    InChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2
    2.1.3 InChI Key
    JKTYGPATCNUWKN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1CO)[N+](=O)[O-]
    2.2 Other Identifiers
    2.2.1 UNII
    86BTJ68Y9M
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. P-nitrobenzyl Alcohol

    2.3.2 Depositor-Supplied Synonyms

    1. 619-73-8

    2. (4-nitrophenyl)methanol

    3. P-nitrobenzyl Alcohol

    4. 4-nitrobenzenemethanol

    5. Benzenemethanol, 4-nitro-

    6. P-(hydroxymethyl)nitrobenzene

    7. Benzyl Alcohol, P-nitro-

    8. 4-nitrobenzylalcohol

    9. Paranitrobenzyl Alcohol

    10. Mfcd00007376

    11. Chebi:41214

    12. (4-nitro-phenyl)-methanol

    13. 86btj68y9m

    14. 1-(hydroxymethyl)-4-nitrobenzene

    15. Nsc-5389

    16. Ccris 5118

    17. Nsc 5389

    18. Einecs 210-611-6

    19. Brn 1424026

    20. Unii-86btj68y9m

    21. P-nitrophenylcarbinol

    22. P-nitrophenylmethanol

    23. 4-nitrophenylcarbinol

    24. 4-nitro-benzylalcohol

    25. 4-nitro-benzyl Alcohol

    26. 4nba

    27. (4-nitrophenyl)-methanol

    28. Epitope Id:164148

    29. (4-nitrophenyl)methanol #

    30. Dsstox_cid_30870

    31. Dsstox_gsid_52298

    32. 4-06-00-02611 (beilstein Handbook Reference)

    33. 4-nitrobenzyl Alcohol, 99%

    34. 4-no2-c6h4ch2oh

    35. Schembl114620

    36. Chembl153580

    37. Schembl2045837

    38. Dtxsid1052298

    39. Nitrobenzyl Alcohol, 4-

    40. Schembl15630260

    41. Nsc5389

    42. Zinc157462

    43. Bcp15778

    44. Tox21_303773

    45. 4-(hydroxymethyl)nitrobenzene

    46. Stl195621

    47. Akos000120684

    48. Cs-w016286

    49. Ps-5309

    50. S12315

    51. Ncgc00357065-01

    52. Ac-10994

    53. Cas-619-73-8

    54. Sy003765

    55. Db-016078

    56. Am20060312

    57. Ft-0619216

    58. N0180

    59. A833513

    60. W-105065

    61. Q26840765

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 153.14 g/mol
    Molecular Formula C7H7NO3
    XLogP31.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass153.042593085 g/mol
    Monoisotopic Mass153.042593085 g/mol
    Topological Polar Surface Area66 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity135
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1