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    CAS 330156-50-8 manufacturers and suppliers on PharmaCompass

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    CAS 330156-50-8

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    CAS 330156-50-8
    Also known as: 330156-50-8, (1r)-1-(2,6-dichloro-3-fluorophenyl)ethanol, (1r)-1-(2,6-dichloro-3-fluorophenyl)ethan-1-ol, (r)-1-(2,6-dichloro-3-fluorophenyl)-ethanol, Mfcd09863794, 1-(2,6-dichloro-3-fluoro-phenyl)-ethanol
    Molecular Formula
    C8H7Cl2FO
    Molecular Weight
    209.04  g/mol
    InChI Key
    JAOYKRSASYNDGH-SCSAIBSYSA-N
    1 2D Structure

    CAS 330156-50-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R)-1-(2,6-dichloro-3-fluorophenyl)ethanol
    2.1.2 InChI
    InChI=1S/C8H7Cl2FO/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-4,12H,1H3/t4-/m1/s1
    2.1.3 InChI Key
    JAOYKRSASYNDGH-SCSAIBSYSA-N
    2.1.4 Canonical SMILES
    CC(C1=C(C=CC(=C1Cl)F)Cl)O
    2.1.5 Isomeric SMILES
    C[C@H](C1=C(C=CC(=C1Cl)F)Cl)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 330156-50-8

    2. (1r)-1-(2,6-dichloro-3-fluorophenyl)ethanol

    3. (1r)-1-(2,6-dichloro-3-fluorophenyl)ethan-1-ol

    4. (r)-1-(2,6-dichloro-3-fluorophenyl)-ethanol

    5. Mfcd09863794

    6. 1-(2,6-dichloro-3-fluoro-phenyl)-ethanol

    7. (1r)-1-(2,6-dichloro-3-fluoro-phenyl)ethanol

    8. (r)-1-(2,6-dichloro-3-fluorophenyl)ethan-1-ol

    9. 1r)-1-(2,6-dichloro-3-fluorophenyl)ethan-1-ol

    10. Schembl2419732

    11. Dtxsid10463001

    12. Bcp04719

    13. Zinc12506508

    14. Akos010366212

    15. Akos015840295

    16. Ss-4350

    17. Ac-25039

    18. A5898

    19. Am20060442

    20. Cs-0120032

    21. D4577

    22. En300-52717

    23. 156d508

    24. J-502117

    25. (r)-2,6-dichloro-3-fluoro-alpha-methylbenzyl Alcohol

    26. Z234896719

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 209.04 g/mol
    Molecular Formula C8H7Cl2FO
    XLogP32.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass207.9857984 g/mol
    Monoisotopic Mass207.9857984 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity156
    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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