942069-61-6
2-(3-CHLORO-5-(PHENYLTHIO)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
Name2-(3-CHLORO-5-(PHENYLTHIO)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
pro_formulaC18 H20 B Cl O2 S
1Identification
【Name】
2-(3-CHLORO-5-(PHENYLTHIO)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
【CAS】
【MDL】
MFCD12405383
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H20 B Cl O2 S
【pro_molWeight】
346.684
【Inchi】
InChI=1S/C18H20BClO2S/c1-17(2)18(3,4)22-19(21-17)13-10-14(20)12-16(11-13)23-15-8-6-5-7-9-15/h5-12H,1-4H3
【InChIKey】
InChIKey=JJYTWJKVTZMXCD-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(cc(c2)Cl)Sc3ccccc3
【MOL File】
2-(3-CHLORO-5-(PHENY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:2
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-(3-CHLORO-5-(PHENYLTHIO)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE.cml