1228431-18-2
6-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PICOLINONITRILE
Name6-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PICOLINONITRILE
1Identification
【Name】
6-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PICOLINONITRILE
【CAS】
【MDL】
MFCD16995664
【English Synonyms】
【Formula】
C13 H17 B N2 O2
【MolWeight】
244.1
【Inchi】
InChI=1S/C13H17BN2O2/c1-9-6-10(7-11(8-15)16-9)14-17-12(2,3)13(4,5)18-14/h6-7H,1-5H3
【InChIKey】
InChIKey=CRVOSNAOGTZJRV-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(nc(c2)C#N)C
【MOL File】
6-METHYL-4-(4,4,5,5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
6-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PICOLINONITRILE.cml