942070-62-4
1-BENZYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-IMIDAZOLE
Name1-BENZYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-IMIDAZOLE
1Identification
【Name】
1-BENZYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-IMIDAZOLE
【CAS】
【MDL】
MFCD12405493
【English Synonyms】
【Formula】
C16 H21 B N2 O2
【MolWeight】
284.165
【Inchi】
InChI=1S/C16H21BN2O2/c1-15(2)16(3,4)21-17(20-15)14-10-18-12-19(14)11-13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3
【InChIKey】
InChIKey=YQLCKBKZLSTLLP-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cncn2Cc3ccccc3
【MOL File】
1-BENZYL-5-(4,4,5,5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-BENZYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-IMIDAZOLE.cml