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    CAS 41870-52-4

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 41870-52-4, 1-(chloro(phenyl)methyl)-2-methylbenzene, 1-[chloro(phenyl)methyl]-2-methylbenzene, 1-(chlorophenylmethyl)-2-methylbenzene, 2-methylbenzhydrylchloride, 1(-chlorophenyl-methyl)-2-mehtylbenzene
    Molecular Formula
    C14H13Cl
    Molecular Weight
    216.70  g/mol
    InChI Key
    VTZTUKIBJQCCMO-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[chloro(phenyl)methyl]-2-methylbenzene
    2.1.2 InChI
    InChI=1S/C14H13Cl/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10,14H,1H3
    2.1.3 InChI Key
    VTZTUKIBJQCCMO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC=CC=C1C(C2=CC=CC=C2)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 41870-52-4

    2. 1-(chloro(phenyl)methyl)-2-methylbenzene

    3. 1-[chloro(phenyl)methyl]-2-methylbenzene

    4. 1-(chlorophenylmethyl)-2-methylbenzene

    5. 2-methylbenzhydrylchloride

    6. 1(-chlorophenyl-methyl)-2-mehtylbenzene

    7. Chloro(2-methylphenyl)phenylmethane

    8. Ec 431-450-1

    9. 2-(alpha-chlorobenzyl)toluene

    10. Schembl10799696

    11. Dtxsid40445052

    12. Mfcd00972765

    13. Akos001261297

    14. Akos016842984

    15. Ac-14475

    16. Bs-44003

    17. Ft-0651834

    18. M2211

    19. 1-[chloranyl(phenyl)methyl]-2-methyl-benzene

    20. En300-22754

    21. D91583

    22. 870m524

    23. A809983

    24. J-504126

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 216.70 g/mol
    Molecular Formula C14H13Cl
    XLogP34.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count2
    Exact Mass216.0705781 g/mol
    Monoisotopic Mass216.0705781 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity184
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1