942069-98-9
2-(5-BROMO-2-CHLOROTHIOPHEN-3-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
Name2-(5-BROMO-2-CHLOROTHIOPHEN-3-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
FormulaC10 H13 B Br Cl O2 S
1Identification
【Name】
2-(5-BROMO-2-CHLOROTHIOPHEN-3-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
【CAS】
【MDL】
MFCD12405464
【English Synonyms】
【Formula】
C10 H13 B Br Cl O2 S
【MolWeight】
323.445
【Inchi】
InChI=1S/C10H13BBrClO2S/c1-9(2)10(3,4)15-11(14-9)6-5-7(12)16-8(6)13/h5H,1-4H3
【InChIKey】
InChIKey=UYHBDWQRDNFKHV-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(sc2Cl)Br
【MOL File】
2-(5-BROMO-2-CHLOROT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(5-BROMO-2-CHLOROTHIOPHEN-3-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE.cml