660425-28-5
2',4-DIFLUORO-5'-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)BIPHENYL-2-CARBONITRILE
Name2',4-DIFLUORO-5'-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)BIPHENYL-2-CARBONITRILE
1Identification
【Name】
2',4-DIFLUORO-5'-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)BIPHENYL-2-CARBONITRILE
【CAS】
【MDL】
MFCD11110498
【English Synonyms】
【Formula】
C19 H18 B F2 N O2
【MolWeight】
341.163
【Inchi】
InChI=1S/C19H18BF2NO2/c1-18(2)19(3,4)25-20(24-18)13-5-8-17(22)16(10-13)15-7-6-14(21)9-12(15)11-23/h5-10H,1-4H3
【InChIKey】
InChIKey=PEYURMPXMJCPFZ-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(c(c2)c3ccc(cc3C#N)F)F
【MOL File】
2',4-DIFLUORO-5'-(4,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2',4-DIFLUORO-5'-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)BIPHENYL-2-CARBONITRILE.cml