942069-81-0
2-(3-METHOXY-5-(PHENYLETHYNYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
Name2-(3-METHOXY-5-(PHENYLETHYNYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
1Identification
【Name】
2-(3-METHOXY-5-(PHENYLETHYNYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
【CAS】
【MDL】
MFCD12405391
【English Synonyms】
【Formula】
C21 H23 B O3
【MolWeight】
334.221
【Inchi】
InChI=1S/C21H23BO3/c1-20(2)21(3,4)25-22(24-20)18-13-17(14-19(15-18)23-5)12-11-16-9-7-6-8-10-16/h6-10,13-15H,1-5H3
【InChIKey】
InChIKey=IEBBFLSLGKINLZ-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(cc(c2)OC)C#Cc3ccccc3
【MOL File】
2-(3-METHOXY-5-(PHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(3-METHOXY-5-(PHENYLETHYNYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE.cml