439813-86-2
1-PHENYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLE
Name1-PHENYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLE
1Identification
【Name】
1-PHENYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLE
【CAS】
【MDL】
MFCD16995295
【English Synonyms】
【Formula】
C16 H20 B N O2
【MolWeight】
269.15
【Inchi】
InChI=1S/C16H20BNO2/c1-15(2)16(3,4)20-17(19-15)13-10-11-18(12-13)14-8-6-5-7-9-14/h5-12H,1-4H3
【InChIKey】
InChIKey=SSGOKPWCHTUNIQ-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccn(c2)c3ccccc3
【MOL File】
1-PHENYL-3-(4,4,5,5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-PHENYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLE.cml