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    Technical details about CAS 100306-33-0, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 100306-33-0

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    2D Structure
    1. Also known as: 100306-33-0, (r)-(+)-3-chloro-1-phenyl-1-propanol, (r)-3-chloro-1-phenylpropan-1-ol, (1r)-3-chloro-1-phenyl-propan-1-ol, (r)-(+)-3-chloro-1-phenylpropanol, (r)-3-chloro-1-phenyl-1-propanol
    Molecular Formula
    C9H11ClO
    Molecular Weight
    170.63  g/mol
    InChI Key
    JZFUHAGLMZWKTF-SECBINFHSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R)-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/t9-/m1/s1
    2.1.3 InChI Key
    JZFUHAGLMZWKTF-SECBINFHSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)C(CCCl)O
    2.1.5 Isomeric SMILES
    C1=CC=C(C=C1)[C@@H](CCCl)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 100306-33-0

    2. (r)-(+)-3-chloro-1-phenyl-1-propanol

    3. (r)-3-chloro-1-phenylpropan-1-ol

    4. (1r)-3-chloro-1-phenyl-propan-1-ol

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

    6. (r)-3-chloro-1-phenyl-1-propanol

    7. (r)-3-chloro-1-phenylpropanol

    8. [r]-3-chloro-1-phenylpropanol

    9. Mfcd00075128

    10. Benzenemethanol, Alpha-(2-chloroethyl)-, (alphar)-

    11. Schembl1142222

    12. Dtxsid50349017

    13. (r)-1-phenyl-3-chloro-1-propanol

    14. (1r)-3-chloro-1-phenyl-1-propanol

    15. 3-chloro-1-(r)-phenyl-propan-1-ol

    16. Akos015850599

    17. Akos015888236

    18. Ac-6655

    19. Cs-w002319

    20. Db06934

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

    22. (r)-alpha-(2-chloroethyl)benzenemethanol

    23. Bp-13229

    24. Ds-10681

    25. C2423

    26. (1r)-3-chloro-1-phenyl-propan-1-ol,98%

    27. (r)-(+)-alpha-(2-chloroethyl)benzyl Alcohol

    28. En300-207538

    29. (r)-(+)-3-chloro-1-phenyl-1-propanol, 98%

    30. R(+)-alpha-(2-chloroethyl)benzyl Alcohol

    31. J-502098

    32. Q27095839

    33. Z1255356297

    2.3 Create Date
    2005-07-19
    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 Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area20.2
    Heavy Atom Count11
    Formal Charge0
    Complexity99.7
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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