Cas no 1438000-18-0 (nitro-Grela)

nitro-Grela structure
nitro-Grela structure
Product Name:nitro-Grela
CAS No:1438000-18-0
MF:C31H37Cl2N3O3Ru
MW:671.619786024094
CID:6797940
PubChem ID:11216043
Update Time:2024-09-12

nitro-Grela Chemical and Physical Properties

Names and Identifiers

    • [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium
    • SCHEMBL1194744
    • [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichloro{[5-nitro-2-(propan-2-yloxy)phenyl]methylidene}ruthenium
    • (Grela 2nd Generation)
    • A852788
    • nitro-Grela; 502964-52-5
    • C15875
    • 502964-52-5
    • (1,3-Dimesitylimidazolidin-2-ylidene)(2-isopropoxy-5-nitrobenzylidene)ruthenium(VI)chloride
    • 1438000-18-0
    • RutheniuM, [1,3-bis(2,4,6-triMethylphenyl)-2-iMidazolidinylidene]dichloro[[2-(1-Methylethoxy-kappaO)-5-nitrophenyl]Methylene-kappaC]-, (SP-5-41)-
    • nitro-Grela
    • CID 11216043
    • (1,3-Dimesitylimidazolidin-2-ylidene)(2-isopropoxy-5-nitrobenzylidene)ruthenium(VI) chloride
    • Ruthenium, [1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro[[2-(1-methylethoxy-
    • EO)-5-n
    • Inchi: 1S/C21H26N2.C10H11NO3.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-7(2)14-10-5-4-9(11(12)13)6-8(10)3;;;/h9-12H,7-8H2,1-6H3;3-7H,1-2H3;2*1H;/q;;;;+2/p-2
    • InChI Key: RQQSRSPQJIAORC-UHFFFAOYSA-L
    • SMILES: [Ru](=CC1C=C(C=CC=1OC(C)C)[N+](=O)[O-])(=C1N(C2C(C)=CC(C)=CC=2C)CCN1C1C(C)=CC(C)=CC=1C)(Cl)Cl

Computed Properties

  • Exact Mass: 671.125538g/mol
  • Monoisotopic Mass: 671.125538g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 5
  • Complexity: 954
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 61.5?2
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