942069-93-4
4,4,5,5-TETRAMETHYL-2-(3-(PHENYLTHIO)-5-(TRIFLUOROMETHYL)PHENYL)-1,3,2-DIOXABOROLANE
Name4,4,5,5-TETRAMETHYL-2-(3-(PHENYLTHIO)-5-(TRIFLUOROMETHYL)PHENYL)-1,3,2-DIOXABOROLANE
pro_formulaC19 H20 B F3 O2 S
1Identification
【Name】
4,4,5,5-TETRAMETHYL-2-(3-(PHENYLTHIO)-5-(TRIFLUOROMETHYL)PHENYL)-1,3,2-DIOXABOROLANE
【CAS】
【MDL】
MFCD12405386
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H20 B F3 O2 S
【pro_molWeight】
380.236
【Inchi】
InChI=1S/C19H20BF3O2S/c1-17(2)18(3,4)25-20(24-17)14-10-13(19(21,22)23)11-16(12-14)26-15-8-6-5-7-9-15/h5-12H,1-4H3
【InChIKey】
InChIKey=LXBWQUKOHKVUOS-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(cc(c2)Sc3ccccc3)C(F)(F)F
【MOL File】
4,4,5,5-TETRAMETHYL-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:2
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4,4,5,5-TETRAMETHYL-2-(3-(PHENYLTHIO)-5-(TRIFLUOROMETHYL)PHENYL)-1,3,2-DIOXABOROLANE.cml