866545-91-7
3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-TOSYL-1H-PYRROLO[2,3-B]PYRIDINE
Name3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-TOSYL-1H-PYRROLO[2,3-B]PYRIDINE
1Identification
【Name】
3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-TOSYL-1H-PYRROLO[2,3-B]PYRIDINE
【CAS】
【MDL】
MFCD11616456
【English Synonyms】
【Formula】
C20 H23 B N2 O4 S
【MolWeight】
398.289
【Inchi】
InChI=1S/C20H23BN2O4S/c1-14-8-10-15(11-9-14)28(24,25)23-13-17(16-7-6-12-22-18(16)23)21-26-19(2,3)20(4,5)27-21/h6-13H,1-5H3
【InChIKey】
InChIKey=NXAUWIGLTZPZKD-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cn(c3c2cccn3)S(=O)(=O)c4ccc(cc4)C
【MOL File】
3-(4,4,5,5-TETRAMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-TOSYL-1H-PYRROLO[2,3-B]PYRIDINE.cml