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  • Difluoro{3-ethyl-5-[1-(4-ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene-N)ethyl]-2,4-dimethyl-1H-pyrrolato-N}boron

  • Difluoro{3-ethyl-5-[1-(4-ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene-N)ethyl]-2,4-dimethyl-1H-pyrrolato-N}boron

    Catalog Number
    ACM131083164-2
    CAS Number
    131083-16-4
    Product Name
    Difluoro{3-ethyl-5-[1-(4-ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene-N)ethyl]-2,4-dimethyl-1H-pyrrolato-N}boron
    Structure
    Category
    Other Materials
    IUPAC Name
    5,11-diethyl-2,2-difluoro-4,6,8,10,12-pentamethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
    Molecular Weight
    318.2g/mol
    Molecular Formula
    C18H25BF2N2
    Canonical SMILES
    [B-]1(N2C(=C(C(=C2C(=C3[N+]1=C(C(=C3C)CC)C)C)C)CC)C)(F)F
    InChI
    InChI=1S/C18H25BF2N2/c1-8-15-10(3)17-12(5)18-11(4)16(9-2)14(7)23(18)19(20,21)22(17)13(15)6/h8-9H2,1-7H3
    InChI Key
    DZSMVBDAUBBZJD-UHFFFAOYSA-N
    Complexity
    598
    Covalently-Bonded Unit Count
    1
    Exact Mass
    318.207885g/mol
    Formal Charge
    0
    Heavy Atom Count
    23
    Monoisotopic Mass
    318.207885g/mol
    Rotatable Bond Count
    2
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