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    CAS 18776-12-0

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    CAS 18776-12-0
    Also known as: 18776-12-0, 3-chloro-1-phenyl-1-propanol, 3-chloro-1-phenyl-propanol, 3-chloro-1-phenylpropanol, 3-chloro-1-phenyl-propan-1-ol, (r)-(+)-3-chloro-1-phenylpropanol
    Molecular Formula
    C9H11ClO
    Molecular Weight
    170.63  g/mol
    InChI Key
    JZFUHAGLMZWKTF-UHFFFAOYSA-N
    1 2D Structure

    CAS 18776-12-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-chloro-1-phenylpropan-1-ol
    2.1.2 InChI
    InChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2
    2.1.3 InChI Key
    JZFUHAGLMZWKTF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)C(CCCl)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 3-chloro-1-phenyl-propanol

    2. 3-chloro-1-phenylpropanol

    2.2.2 Depositor-Supplied Synonyms

    1. 18776-12-0

    2. 3-chloro-1-phenyl-1-propanol

    3. 3-chloro-1-phenyl-propanol

    4. 3-chloro-1-phenylpropanol

    5. 3-chloro-1-phenyl-propan-1-ol

    6. (r)-(+)-3-chloro-1-phenylpropanol

    7. Mfcd09878800

    8. Rac 3-chloro-1-phenylpropanol

    9. Mfcd00013309

    10. Mfcd00075128

    11. Schembl525669

    12. 1-phenyl-3-chloro-1-propanol

    13. Dtxsid80341286

    14. Act09179

    15. Albb-004119

    16. Bcp12491

    17. Bcp15449

    18. Alpha-(2-chloroethyl)benzyl Alcohol

    19. Stk502931

    20. Akos000321631

    21. Akos016342130

    22. Racemic 3-chloro-1-phenyl-1-propanol

    23. Cs-w019837

    24. Sb44472

    25. Benzenemethanol, Alpha-(2-chloroethyl)-

    26. Ds-13210

    27. Sy021621

    28. Sy021625

    29. Sy021671

    30. Bb 0240838

    31. Ft-0601029

    32. Ft-0642419

    33. Ft-0664923

    34. A23534

    35. 776c120

    36. J-012087

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 170.63 g/mol
    Molecular Formula C9H11ClO
    XLogP32
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count3
    Exact Mass170.0498427 g/mol
    Monoisotopic Mass170.0498427 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity99.7
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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