942069-89-8
4,4,5,5-TETRAMETHYL-2-(3-METHYL-5-(PHENYLETHYNYL)PHENYL)-1,3,2-DIOXABOROLANE
Name4,4,5,5-TETRAMETHYL-2-(3-METHYL-5-(PHENYLETHYNYL)PHENYL)-1,3,2-DIOXABOROLANE
1Identification
【Name】
4,4,5,5-TETRAMETHYL-2-(3-METHYL-5-(PHENYLETHYNYL)PHENYL)-1,3,2-DIOXABOROLANE
【CAS】
【MDL】
MFCD12405394
【English Synonyms】
【Formula】
C21 H23 B O2
【MolWeight】
318.222
【Inchi】
InChI=1S/C21H23BO2/c1-16-13-18(12-11-17-9-7-6-8-10-17)15-19(14-16)22-23-20(2,3)21(4,5)24-22/h6-10,13-15H,1-5H3
【InChIKey】
InChIKey=KZCBFLGUKQXGHW-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(cc(c2)C#Cc3ccccc3)C
【MOL File】
4,4,5,5-TETRAMETHYL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,4,5,5-TETRAMETHYL-2-(3-METHYL-5-(PHENYLETHYNYL)PHENYL)-1,3,2-DIOXABOROLANE.cml