1352796-63-4
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZO[D]IMIDAZOLE
Name4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZO[D]IMIDAZOLE
1Identification
【Name】
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZO[D]IMIDAZOLE
【CAS】
【MDL】
MFCD16995906
【English Synonyms】
【Formula】
C13 H17 B N2 O2
【MolWeight】
244.1
【Inchi】
InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)9-6-5-7-10-11(9)16-8-15-10/h5-8H,1-4H3,(H,15,16)
【InChIKey】
InChIKey=KXZFBGYHLMGGJF-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cccc3c2nc[nH]3
【MOL File】
4-(4,4,5,5-TETRAMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZO[D]IMIDAZOLE.cml