942069-77-4
2-(3,4-DIMETHYL-5-(PHENYLETHYNYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
Name2-(3,4-DIMETHYL-5-(PHENYLETHYNYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
1Identification
【Name】
2-(3,4-DIMETHYL-5-(PHENYLETHYNYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
【CAS】
【MDL】
MFCD12405389
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H25 B O2
【pro_molWeight】
332.249
【Inchi】
InChI=1S/C22H25BO2/c1-16-14-20(23-24-21(3,4)22(5,6)25-23)15-19(17(16)2)13-12-18-10-8-7-9-11-18/h7-11,14-15H,1-6H3
【InChIKey】
InChIKey=XSMZJJSCESBCSB-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(c(c(c2)C#Cc3ccccc3)C)C
【MOL File】
2-(3,4-DIMETHYL-5-(P….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:2
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-(3,4-DIMETHYL-5-(PHENYLETHYNYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE.cml