160207-17-0
[N,N'-[1,2-BIS(3,5-DIMETHYLPHENYL)-1,2-ETHANEDIYL]BIS(1,1,1-TRIFLUOROMETHANESULFONAMIDATO)]METHYL ALUMINUM
Name[N,N'-[1,2-BIS(3,5-DIMETHYLPHENYL)-1,2-ETHANEDIYL]BIS(1,1,1-TRIFLUOROMETHANESULFONAMIDATO)]METHYL ALUMINUM
pro_formulaC21 H23 Al F6 N2 O4 S2
1Identification
【Name】
[N,N'-[1,2-BIS(3,5-DIMETHYLPHENYL)-1,2-ETHANEDIYL]BIS(1,1,1-TRIFLUOROMETHANESULFONAMIDATO)]METHYL ALUMINUM
【CAS】
【MDL】
MFCD16876531
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H23 Al F6 N2 O4 S2
【pro_molWeight】
572.525
【Inchi】
InChI=1S/C20H20F6N2O4S2.CH3.Al/c1-11-5-12(2)8-15(7-11)17(27-33(29,30)19(21,22)23)18(28-34(31,32)20(24,25)26)16-9-13(3)6-14(4)10-16;;/h5-10,17-18H,1-4H3;1H3;/q-2;;+2
【InChIKey】
InChIKey=MMFOFSUHNHFBDI-UHFFFAOYSA-N
【SMILES】
Cc1cc(cc(c1)C2C(N([Al](N2S(=O)(=O)C(F)(F)F)C)S(=O)(=O)C(F)(F)F)c3cc(cc(c3)C)C)C
【MOL File】
[N,N'-[1,2-BIS(3,5-D….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:6
XLogP3:7.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
[N,N'-[1,2-BIS(3,5-DIMETHYLPHENYL)-1,2-ETHANEDIYL]BIS(1,1,1-TRIFLUOROMETHANESULFONAMIDATO)]METHYL ALUMINUM.cml