942069-55-8
2-(3-BROMO-5-(PHENYLTHIO)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
Name2-(3-BROMO-5-(PHENYLTHIO)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
1Identification
【Name】
2-(3-BROMO-5-(PHENYLTHIO)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
【CAS】
【MDL】
MFCD12405382
【English Synonyms】
【Formula】
C18 H20 B Br O2 S
【MolWeight】
391.135
【Inchi】
InChI=1S/C18H20BBrO2S/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=QLGBIRSPZGMGCY-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(cc(c2)Br)Sc3ccccc3
【MOL File】
2-(3-BROMO-5-(PHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(3-BROMO-5-(PHENYLTHIO)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE.cml