863868-48-8
2,6-BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-4-(TRIFLUOROMETHYL)-BENZONITRILE
Name2,6-BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-4-(TRIFLUOROMETHYL)-BENZONITRILE
FormulaC20 H26 B2 F3 N O4
1Identification
【Name】
2,6-BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-4-(TRIFLUOROMETHYL)-BENZONITRILE
【CAS】
【MDL】
MFCD12407213
【English Synonyms】
【Formula】
C20 H26 B2 F3 N O4
【MolWeight】
423.044
【Inchi】
InChI=1S/C20H26B2F3NO4/c1-16(2)17(3,4)28-21(27-16)14-9-12(20(23,24)25)10-15(13(14)11-26)22-29-18(5,6)19(7,8)30-22/h9-10H,1-8H3
【InChIKey】
InChIKey=DPRFQOZBWORZFH-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(cc(c2C#N)B3OC(C(O3)(C)C)(C)C)C(F)(F)F
【MOL File】
2,6-BIS(4,4,5,5-TETR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,6-BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-4-(TRIFLUOROMETHYL)-BENZONITRILE.cml