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    Technical details about CAS 443882-99-3, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 443882-99-3

    BUILDING BLOCK

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    2D Structure
    Also known as: 443882-99-3, 2-chloro-1-((3-fluorobenzyl)oxy)-4-nitrobenzene, 3-chloro-4-(3-fluorobenzyloxy)nitrobenzene, 2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene, 2-chloro-1-[(3-fluorobenzyl)oxy]-4-nitrobenzene, 2-chloro-1-(3-fluoro-benzyloxy)-4-nitro-benzene
    Molecular Formula
    C13H9ClFNO3
    Molecular Weight
    281.66  g/mol
    InChI Key
    SFTHVDYRPHJAND-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene
    2.1.2 InChI
    InChI=1S/C13H9ClFNO3/c14-12-7-11(16(17)18)4-5-13(12)19-8-9-2-1-3-10(15)6-9/h1-7H,8H2
    2.1.3 InChI Key
    SFTHVDYRPHJAND-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 443882-99-3

    2. 2-chloro-1-((3-fluorobenzyl)oxy)-4-nitrobenzene

    3. 3-chloro-4-(3-fluorobenzyloxy)nitrobenzene

    4. 2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene

    5. 2-chloro-1-[(3-fluorobenzyl)oxy]-4-nitrobenzene

    6. 2-chloro-1-(3-fluoro-benzyloxy)-4-nitro-benzene

    7. Schembl141880

    8. Dtxsid30427605

    9. Sfthvdyrphjand-uhfffaoysa-n

    10. Amy32631

    11. Bcp04145

    12. Ar3626

    13. Mfcd06809827

    14. Akos008351462

    15. Ac-8506

    16. Ds-18411

    17. 2-chloro-1-(3-fluoro-benzyloxy)-4-nitro

    18. 4-(3-fluorobenzyloxy)-3-chloro Nitrobenzene

    19. C2875

    20. Cs-0008657

    21. Ft-0651811

    22. 2-chloro-1-(3-fluorobenzyloxy)-4-nitrobenzen

    23. A826562

    24. Ar-527/43363310

    25. Q-101355

    26. 2-chloro-1-[(3-fluorophenyl)methoxy]-4-nitro-benzene;2-chloro-1-(3-fluorobenzyloxy)-4-nitrobenzene

    2.3 Create Date
    2006-07-29
    3 Chemical and Physical Properties
    Molecular Weight 281.66 g/mol
    Molecular Formula C13H9ClFNO3
    XLogP33.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area55
    Heavy Atom Count19
    Formal Charge0
    Complexity313
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1